Tuneable reversible redox of cobalt(iii) carbazole complexes.
Bennington, Michael S.; Feltham, Humphrey L. C.; Buxton, Zoë J; White, Nicholas G.; Brooker, Sally; Dalton transactions (Cambridge, England : 2003) 46 (2017) 4696–4710; doi:10.1039/c7dt00295e

data_7042366
_publ_section_title
;
 Tuneable reversible redox of cobalt(iii) carbazole complexes.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4696
_journal_page_last               4710
_journal_paper_doi               10.1039/c7dt00295e
_journal_volume                  46
_journal_year                    2017
_chemical_compound_source        synthesized
_chemical_formula_moiety         'C76 H76 Co N14, B F4, 1.5(C4 H10 O)'
_chemical_formula_sum            'C82 H91 B Co F4 N14 O1.5'
_chemical_formula_weight         1442.44
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_audit_update_record
;
2016-10-17 deposited with the CCDC.
2017-03-07 downloaded from the CCDC.
;
_cell_angle_alpha                72.8513(19)
_cell_angle_beta                 74.9270(19)
_cell_angle_gamma                67.484(2)
_cell_formula_units_Z            2
_cell_length_a                   15.7973(3)
_cell_length_b                   16.5287(4)
_cell_length_c                   18.5432(4)
_cell_measurement_reflns_used    17513
_cell_measurement_temperature    100
_cell_measurement_theta_max      77.22
_cell_measurement_theta_min      3.07
_cell_volume                     4214.08(17)
_computing_cell_refinement       'CrysAlisPro, (Agilent, 2011)'
_computing_data_collection       'SuperNova, (Oxford Diffraction, 2010)'
_computing_data_reduction        'CrysAlisPro, (Agilent, 2011)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SHELXS 97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.064
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            17513
_diffrn_reflns_theta_full        74.129
_diffrn_reflns_theta_max         77.217
_diffrn_reflns_theta_min         3.071
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.076
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, (Agilent, 2011)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.137
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1522
_exptl_crystal_size_max          0.639
_exptl_crystal_size_mid          0.580
_exptl_crystal_size_min          0.386
_platon_squeeze_details
;
;
_refine_diff_density_max         1.07
_refine_diff_density_min         -0.92
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9790
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     979
_refine_ls_number_reflns         13732
_refine_ls_number_restraints     1114
_refine_ls_R_factor_all          0.1361
_refine_ls_R_factor_gt           0.1173
_refine_ls_shift/su_max          0.0017496
_refine_ls_shift/su_mean         0.0000571
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A~0~*T~0~(x)+A~1~*T~1~(x) ... +A~n-1~]*T~n-1~(x)] 
 where A~i~ are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)^2^]^2^ 
 A~i~ are: 
 0.399E+04 0.668E+04 0.402E+04 0.161E+04 336. 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.3408
_refine_ls_wR_factor_gt          0.3113
_refine_ls_wR_factor_ref         0.3408
_reflns_limit_h_max              19
_reflns_limit_h_min              -18
_reflns_limit_k_max              20
_reflns_limit_k_min              -19
_reflns_limit_l_max              23
_reflns_limit_l_min              0
_reflns_number_gt                10291
_reflns_number_total             17513
_reflns_threshold_expression     I>2.0\s(I)
_oxford_diffrn_Wilson_B_factor   3.69
_oxford_diffrn_Wilson_scale      0.58
_oxford_refine_ls_r_factor_ref   0.1361
_oxford_refine_ls_scale          2.84(5)
_oxford_reflns_number_all        13732
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_cod_data_source_file            c7dt00295e2.cif
_cod_data_source_block           MSB137_compound4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'Other' changed to 'other'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7042363--7042366.cif.
;
_cod_original_cell_volume        4214.09(9)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C82 H91 B1 Co1 F4 N14 O1.5'
_cod_database_code               7042366
_iucr_refine_instructions_details_constraints
;
BLOCK SCALE X'S  U'S 
RIDE C   (   1,X'S) H   (  11,X'S) 
RIDE C   (   2,X'S) H   (  21,X'S) 
RIDE C   (   4,X'S) H   (  41,X'S) 
RIDE C   (   5,X'S) H   (  51,X'S) 
RIDE C   (   7,X'S) H   (  71,X'S) H   (  72,X'S) 
RIDE C   (  11,X'S) H   ( 111,X'S) 
RIDE C   (  14,X'S) H   ( 141,X'S) 
RIDE C   (  15,X'S) H   ( 151,X'S) 
RIDE C   (  16,X'S) H   ( 161,X'S) 
RIDE C   (  22,X'S) H   ( 221,X'S) 
RIDE C   (  23,X'S) H   ( 231,X'S) 
RIDE C   (  24,X'S) H   ( 241,X'S) 
RIDE C   (  27,X'S) H   ( 271,X'S) 
RIDE C   (  31,X'S) H   ( 311,X'S) H   ( 312,X'S) 
RIDE C   (  33,X'S) H   ( 331,X'S) 
RIDE C   (  34,X'S) H   ( 341,X'S) 
RIDE C   (  36,X'S) H   ( 361,X'S) 
RIDE C   (  37,X'S) H   ( 371,X'S) 
RIDE C   (  39,X'S) H   ( 391,X'S) H   ( 392,X'S) H   ( 393,X'S) 
RIDE C   (  40,X'S) H   ( 401,X'S) H   ( 402,X'S) H   ( 403,X'S) 
RIDE C   (  43,X'S) H   ( 431,X'S) H   ( 432,X'S) H   ( 433,X'S) 
RIDE C   (  44,X'S) H   ( 441,X'S) H   ( 442,X'S) H   ( 443,X'S) 
RIDE C   (  45,X'S) H   ( 451,X'S) H   ( 452,X'S) H   ( 453,X'S) 
RIDE C   ( 101,X'S) H   (1011,X'S) 
RIDE C   ( 102,X'S) H   (1021,X'S) 
RIDE C   ( 104,X'S) H   (1041,X'S) 
RIDE C   ( 105,X'S) H   (1051,X'S) 
RIDE C   ( 107,X'S) H   (1071,X'S) H   (1072,X'S) 
RIDE C   ( 111,X'S) H   (1111,X'S) 
RIDE C   ( 114,X'S) H   (1141,X'S) 
RIDE C   ( 115,X'S) H   (1151,X'S) 
RIDE C   ( 116,X'S) H   (1161,X'S) 
RIDE C   ( 122,X'S) H   (1221,X'S) 
RIDE C   ( 123,X'S) H   (1231,X'S) 
RIDE C   ( 124,X'S) H   (1241,X'S) 
RIDE C   ( 127,X'S) H   (1271,X'S) 
RIDE C   ( 131,X'S) H   (1311,X'S) H   (1312,X'S) 
RIDE C   ( 133,X'S) H   (1331,X'S) 
RIDE C   ( 134,X'S) H   (1341,X'S) 
RIDE C   ( 136,X'S) H   (1361,X'S) 
RIDE C   ( 137,X'S) H   (1371,X'S) 
RIDE C   ( 139,X'S) H   (1391,X'S) H   (1392,X'S) H   (1393,X'S) 
RIDE C   ( 140,X'S) H   (1401,X'S) H   (1402,X'S) H   (1403,X'S) 
RIDE C   ( 141,X'S) H   (1411,X'S) H   (1412,X'S) H   (1413,X'S) 
RIDE C   ( 143,X'S) H   (1431,X'S) H   (1432,X'S) H   (1433,X'S) 
RIDE C   ( 144,X'S) H   (1441,X'S) H   (1442,X'S) H   (1443,X'S) 
RIDE C   ( 201,X'S) H   (2011,X'S) H   (2012,X'S) H   (2013,X'S) 
RIDE C   ( 202,X'S) H   (2021,X'S) H   (2022,X'S) 
RIDE C   ( 205,X'S) H   (2051,X'S) H   (2052,X'S) H   (2053,X'S) 
RIDE C   ( 211,X'S) H   (2111,X'S) H   (2112,X'S) H   (2113,X'S) 
RIDE C   ( 212,X'S) H   (2121,X'S) H   (2122,X'S) 
RIDE C   ( 204,X'S) H   (2041,X'S) H   (2042,X'S) 
RIDE C   (  41,X'S) H   ( 411,X'S) H   ( 412,X'S) H   ( 413,X'S) 
RIDE C   ( 145,X'S) H   (1451,X'S) H   (1452,X'S) H   (1453,X'S) 
RIDE C   ( 214,X'S) H   (2141,X'S) H   (2142,X'S) 
END              
;
_iucr_refine_instructions_details_restraints
;                                                              
REM 
REM TBUS 
REM 
DIST 1.52, 0.01 = C(38) TO C(39), C(38) TO C(40) 
CONT C(38) TO C(41), C(42) TO C(43) 
CONT C(42) TO C(44), C(42) TO C(45) 
CONT C(138) TO C(139), C(138) TO C(140) 
CONT C(138) TO C(141), C(142) TO C(143) 
CONT C(142) TO C(144), C(142) TO C(145) 
ANGL 109, 1 = C(39) TO C(38) TO C(40) 
CONT C(39) TO C(38) TO C(41) 
CONT C(40) TO C(38) TO C(41) 
CONT C(43) TO C(42) TO C(44) 
CONT C(43) TO C(42) TO C(45) 
CONT C(44) TO C(42) TO C(45) 
CONT C(139) TO C(138) TO C(140) 
CONT C(139) TO C(138) TO C(141) 
CONT C(140) TO C(138) TO C(141) 
CONT C(143) TO C(142) TO C(144) 
CONT C(143) TO C(142) TO C(145) 
CONT C(144) TO C(142) TO C(145) 
REM 
REM BF4 
REM 
DIST 1.40, 0.01 = B(1) TO F(11), B(1) TO F(12) 
CONT B(1) TO F(13), B(1) TO F(14) 
CONT B(1) TO F(15), B(1) TO F(16) 
CONT B(1) TO F(17), B(1) TO F(18) 
ANGL 109, 1 = F(11) TO B(1) TO F(12) 
CONT F(11) TO B(1) TO F(13) 
CONT F(11) TO B(1) TO F(14) 
CONT F(12) TO B(1) TO F(13) 
CONT F(12) TO B(1) TO F(14) 
CONT F(13) TO B(1) TO F(14) 
CONT F(15) TO B(1) TO F(16) 
CONT F(15) TO B(1) TO F(17) 
CONT F(15) TO B(1) TO F(18) 
CONT F(16) TO B(1) TO F(17) 
CONT F(16) TO B(1) TO F(18) 
CONT F(17) TO B(1) TO F(18) 
REM 
REM SOLVENTS 
REM 
DIST 1.50, 0.01 = C(201) TO C(202), C(204) TO C(205) 
CONT C(211) TO C(212), C(214) TO C(211) 
DIST 1.43, 0.01 = C(202) TO O(203), O(203) TO C(204) 
CONT C(212) TO O(213), C(214) TO O(213) 
ANGL 109, 1 = C(201) TO C(202) TO O(203) 
CONT O(203) TO C(204) TO C(205) 
CONT C(211) TO C(212) TO O(213) 
CONT C(211) TO C(214) TO O(213) 
REM 
REM PHENYLS 
REM 
PLANAR C(131) C(132) C(133) C(134) C(135) C(136) C(137) C(142) 
DIST 1.40, 0.01 = C(132) TO C(133), C(133) TO C(134) 
CONT C(134) TO C(135), C(135) TO C(136) 
CONT C(136) TO C(137), C(137) TO C(132) 
CONT C(101) TO C(102), C(102) TO C(103) 
CONT C(103) TO C(104), C(104) TO C(105) 
CONT C(105) TO C(106), C(106) TO C(101) 
ANGL 120, 1 = C(132) TO C(133) TO C(134) 
CONT C(133) TO C(134) TO C(135) 
CONT C(134) TO C(135) TO C(136) 
CONT C(135) TO C(136) TO C(137) 
CONT C(136) TO C(137) TO C(132) 
CONT C(137) TO C(132) TO C(133) 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
REM   HREST   END (DO NOT REMOVE THIS LINE) 
REM   DELU   START (DO NOT REMOVE THIS LINE) 
VIBR .0, 0.00100 = C(1) TO C(2) 
VIBR .0, 0.00100 = C(1) TO C(6) 
VIBR .0, 0.00200 = C(6) TO C(2) 
VIBR .0, 0.00100 = C(2) TO C(3) 
VIBR .0, 0.00200 = C(3) TO C(1) 
VIBR .0, 0.00100 = C(3) TO C(4) 
VIBR .0, 0.00100 = C(3) TO C(38) 
VIBR .0, 0.00200 = C(4) TO C(2) 
VIBR .0, 0.00200 = C(38) TO C(2) 
VIBR .0, 0.00200 = C(38) TO C(4) 
VIBR .0, 0.00100 = C(4) TO C(5) 
VIBR .0, 0.00200 = C(5) TO C(3) 
VIBR .0, 0.00100 = C(5) TO C(6) 
VIBR .0, 0.00200 = C(6) TO C(4) 
VIBR .0, 0.00100 = C(6) TO C(7) 
VIBR .0, 0.00200 = C(5) TO C(1) 
VIBR .0, 0.00200 = C(7) TO C(1) 
VIBR .0, 0.00200 = C(7) TO C(5) 
VIBR .0, 0.00100 = C(7) TO N(8) 
VIBR .0, 0.00200 = N(8) TO C(6) 
VIBR .0, 0.00100 = N(8) TO N(9) 
VIBR .0, 0.00100 = N(8) TO C(11) 
VIBR .0, 0.00200 = N(9) TO C(7) 
VIBR .0, 0.00200 = C(11) TO C(7) 
VIBR .0, 0.00200 = C(11) TO N(9) 
VIBR .0, 0.00100 = N(9) TO N(10) 
VIBR .0, 0.00200 = N(10) TO N(8) 
VIBR .0, 0.00100 = N(10) TO C(12) 
VIBR .0, 0.00100 = N(10) TO CO(1) 
VIBR .0, 0.00200 = C(12) TO N(9) 
VIBR .0, 0.00200 = CO(1) TO N(9) 
VIBR .0, 0.00200 = CO(1) TO C(12) 
VIBR .0, 0.00100 = C(11) TO C(12) 
VIBR .0, 0.00200 = C(12) TO N(8) 
VIBR .0, 0.00100 = C(12) TO C(13) 
VIBR .0, 0.00200 = C(11) TO N(10) 
VIBR .0, 0.00200 = C(13) TO N(10) 
VIBR .0, 0.00200 = C(13) TO C(11) 
VIBR .0, 0.00100 = C(13) TO C(14) 
VIBR .0, 0.00100 = C(13) TO C(18) 
VIBR .0, 0.00200 = C(14) TO C(12) 
VIBR .0, 0.00200 = C(18) TO C(12) 
VIBR .0, 0.00200 = C(18) TO C(14) 
VIBR .0, 0.00100 = C(14) TO C(15) 
VIBR .0, 0.00200 = C(15) TO C(13) 
VIBR .0, 0.00100 = C(15) TO C(16) 
VIBR .0, 0.00200 = C(16) TO C(14) 
VIBR .0, 0.00100 = C(16) TO C(17) 
VIBR .0, 0.00200 = C(17) TO C(15) 
VIBR .0, 0.00100 = C(17) TO C(18) 
VIBR .0, 0.00100 = C(17) TO C(21) 
VIBR .0, 0.00200 = C(18) TO C(16) 
VIBR .0, 0.00200 = C(21) TO C(16) 
VIBR .0, 0.00200 = C(21) TO C(18) 
VIBR .0, 0.00100 = C(18) TO N(19) 
VIBR .0, 0.00200 = C(13) TO C(17) 
VIBR .0, 0.00200 = N(19) TO C(17) 
VIBR .0, 0.00200 = N(19) TO C(13) 
VIBR .0, 0.00100 = N(19) TO C(20) 
VIBR .0, 0.00100 = N(19) TO CO(1) 
VIBR .0, 0.00200 = C(20) TO C(18) 
VIBR .0, 0.00200 = CO(1) TO C(18) 
VIBR .0, 0.00200 = CO(1) TO C(20) 
VIBR .0, 0.00100 = C(20) TO C(21) 
VIBR .0, 0.00100 = C(20) TO C(25) 
VIBR .0, 0.00200 = C(21) TO N(19) 
VIBR .0, 0.00200 = C(25) TO N(19) 
VIBR .0, 0.00200 = C(25) TO C(21) 
VIBR .0, 0.00100 = C(21) TO C(22) 
VIBR .0, 0.00200 = C(20) TO C(17) 
VIBR .0, 0.00200 = C(22) TO C(17) 
VIBR .0, 0.00200 = C(22) TO C(20) 
VIBR .0, 0.00100 = C(22) TO C(23) 
VIBR .0, 0.00200 = C(23) TO C(21) 
VIBR .0, 0.00100 = C(23) TO C(24) 
VIBR .0, 0.00200 = C(24) TO C(22) 
VIBR .0, 0.00100 = C(24) TO C(25) 
VIBR .0, 0.00200 = C(25) TO C(23) 
VIBR .0, 0.00100 = C(25) TO C(26) 
VIBR .0, 0.00200 = C(24) TO C(20) 
VIBR .0, 0.00200 = C(26) TO C(20) 
VIBR .0, 0.00200 = C(26) TO C(24) 
VIBR .0, 0.00100 = C(26) TO C(27) 
VIBR .0, 0.00100 = C(26) TO N(28) 
VIBR .0, 0.00200 = C(27) TO C(25) 
VIBR .0, 0.00200 = N(28) TO C(25) 
VIBR .0, 0.00200 = N(28) TO C(27) 
VIBR .0, 0.00100 = C(27) TO N(30) 
VIBR .0, 0.00200 = N(30) TO C(26) 
VIBR .0, 0.00100 = N(28) TO N(29) 
VIBR .0, 0.00100 = N(28) TO CO(1) 
VIBR .0, 0.00200 = N(29) TO C(26) 
VIBR .0, 0.00200 = CO(1) TO C(26) 
VIBR .0, 0.00200 = CO(1) TO N(29) 
VIBR .0, 0.00100 = N(29) TO N(30) 
VIBR .0, 0.00200 = N(30) TO N(28) 
VIBR .0, 0.00100 = N(30) TO C(31) 
VIBR .0, 0.00200 = N(29) TO C(27) 
VIBR .0, 0.00200 = C(31) TO C(27) 
VIBR .0, 0.00200 = C(31) TO N(29) 
VIBR .0, 0.00100 = C(31) TO C(32) 
VIBR .0, 0.00200 = C(32) TO N(30) 
VIBR .0, 0.00100 = C(32) TO C(33) 
VIBR .0, 0.00100 = C(32) TO C(37) 
VIBR .0, 0.00200 = C(33) TO C(31) 
VIBR .0, 0.00200 = C(37) TO C(31) 
VIBR .0, 0.00200 = C(37) TO C(33) 
VIBR .0, 0.00100 = C(33) TO C(34) 
VIBR .0, 0.00200 = C(34) TO C(32) 
VIBR .0, 0.00100 = C(34) TO C(35) 
VIBR .0, 0.00200 = C(35) TO C(33) 
VIBR .0, 0.00100 = C(35) TO C(36) 
VIBR .0, 0.00100 = C(35) TO C(42) 
VIBR .0, 0.00200 = C(36) TO C(34) 
VIBR .0, 0.00200 = C(42) TO C(34) 
VIBR .0, 0.00200 = C(42) TO C(36) 
VIBR .0, 0.00100 = C(36) TO C(37) 
VIBR .0, 0.00200 = C(37) TO C(35) 
VIBR .0, 0.00200 = C(36) TO C(32) 
VIBR .0, 0.00100 = C(38) TO C(39) 
VIBR .0, 0.00100 = C(38) TO C(40) 
VIBR .0, 0.00100 = C(38) TO C(41) 
VIBR .0, 0.00200 = C(39) TO C(3) 
VIBR .0, 0.00200 = C(40) TO C(3) 
VIBR .0, 0.00200 = C(40) TO C(39) 
VIBR .0, 0.00200 = C(41) TO C(3) 
VIBR .0, 0.00200 = C(41) TO C(39) 
VIBR .0, 0.00200 = C(41) TO C(40) 
VIBR .0, 0.00100 = C(42) TO C(43) 
VIBR .0, 0.00100 = C(42) TO C(44) 
VIBR .0, 0.00100 = C(42) TO C(45) 
VIBR .0, 0.00200 = C(43) TO C(35) 
VIBR .0, 0.00200 = C(44) TO C(35) 
VIBR .0, 0.00200 = C(44) TO C(43) 
VIBR .0, 0.00200 = C(45) TO C(35) 
VIBR .0, 0.00200 = C(45) TO C(43) 
VIBR .0, 0.00200 = C(45) TO C(44) 
VIBR .0, 0.00100 = C(101) TO C(102) 
VIBR .0, 0.00100 = C(101) TO C(106) 
VIBR .0, 0.00200 = C(106) TO C(102) 
VIBR .0, 0.00100 = C(102) TO C(103) 
VIBR .0, 0.00200 = C(103) TO C(101) 
VIBR .0, 0.00100 = C(103) TO C(104) 
VIBR .0, 0.00100 = C(103) TO C(138) 
VIBR .0, 0.00200 = C(104) TO C(102) 
VIBR .0, 0.00200 = C(138) TO C(102) 
VIBR .0, 0.00200 = C(138) TO C(104) 
VIBR .0, 0.00100 = C(104) TO C(105) 
VIBR .0, 0.00200 = C(105) TO C(103) 
VIBR .0, 0.00100 = C(105) TO C(106) 
VIBR .0, 0.00200 = C(106) TO C(104) 
VIBR .0, 0.00100 = C(106) TO C(107) 
VIBR .0, 0.00200 = C(101) TO C(105) 
VIBR .0, 0.00200 = C(107) TO C(105) 
VIBR .0, 0.00200 = C(107) TO C(101) 
VIBR .0, 0.00100 = C(107) TO N(108) 
VIBR .0, 0.00200 = N(108) TO C(106) 
VIBR .0, 0.00100 = N(108) TO N(109) 
VIBR .0, 0.00100 = N(108) TO C(111) 
VIBR .0, 0.00200 = N(109) TO C(107) 
VIBR .0, 0.00200 = C(111) TO C(107) 
VIBR .0, 0.00200 = C(111) TO N(109) 
VIBR .0, 0.00100 = N(109) TO N(110) 
VIBR .0, 0.00200 = N(110) TO N(108) 
VIBR .0, 0.00100 = N(110) TO C(112) 
VIBR .0, 0.00100 = N(110) TO CO(1) 
VIBR .0, 0.00200 = C(112) TO N(109) 
VIBR .0, 0.00200 = CO(1) TO N(109) 
VIBR .0, 0.00200 = CO(1) TO C(112) 
VIBR .0, 0.00100 = C(111) TO C(112) 
VIBR .0, 0.00200 = C(112) TO N(108) 
VIBR .0, 0.00100 = C(112) TO C(113) 
VIBR .0, 0.00200 = C(111) TO N(110) 
VIBR .0, 0.00200 = C(113) TO N(110) 
VIBR .0, 0.00200 = C(113) TO C(111) 
VIBR .0, 0.00100 = C(113) TO C(114) 
VIBR .0, 0.00100 = C(113) TO C(118) 
VIBR .0, 0.00200 = C(114) TO C(112) 
VIBR .0, 0.00200 = C(118) TO C(112) 
VIBR .0, 0.00200 = C(118) TO C(114) 
VIBR .0, 0.00100 = C(114) TO C(115) 
VIBR .0, 0.00200 = C(115) TO C(113) 
VIBR .0, 0.00100 = C(115) TO C(116) 
VIBR .0, 0.00200 = C(116) TO C(114) 
VIBR .0, 0.00100 = C(116) TO C(117) 
VIBR .0, 0.00200 = C(117) TO C(115) 
VIBR .0, 0.00100 = C(117) TO C(118) 
VIBR .0, 0.00100 = C(117) TO C(121) 
VIBR .0, 0.00200 = C(118) TO C(116) 
VIBR .0, 0.00200 = C(121) TO C(116) 
VIBR .0, 0.00200 = C(121) TO C(118) 
VIBR .0, 0.00100 = C(118) TO N(119) 
VIBR .0, 0.00200 = C(113) TO C(117) 
VIBR .0, 0.00200 = N(119) TO C(117) 
VIBR .0, 0.00200 = N(119) TO C(113) 
VIBR .0, 0.00100 = N(119) TO C(120) 
VIBR .0, 0.00100 = N(119) TO CO(1) 
VIBR .0, 0.00200 = C(120) TO C(118) 
VIBR .0, 0.00200 = CO(1) TO C(118) 
VIBR .0, 0.00200 = CO(1) TO C(120) 
VIBR .0, 0.00100 = C(120) TO C(121) 
VIBR .0, 0.00100 = C(120) TO C(125) 
VIBR .0, 0.00200 = C(121) TO N(119) 
VIBR .0, 0.00200 = C(125) TO N(119) 
VIBR .0, 0.00200 = C(125) TO C(121) 
VIBR .0, 0.00100 = C(121) TO C(122) 
VIBR .0, 0.00200 = C(120) TO C(117) 
VIBR .0, 0.00200 = C(122) TO C(117) 
VIBR .0, 0.00200 = C(122) TO C(120) 
VIBR .0, 0.00100 = C(122) TO C(123) 
VIBR .0, 0.00200 = C(123) TO C(121) 
VIBR .0, 0.00100 = C(123) TO C(124) 
VIBR .0, 0.00200 = C(124) TO C(122) 
VIBR .0, 0.00100 = C(124) TO C(125) 
VIBR .0, 0.00200 = C(125) TO C(123) 
VIBR .0, 0.00100 = C(125) TO C(126) 
VIBR .0, 0.00200 = C(120) TO C(124) 
VIBR .0, 0.00200 = C(126) TO C(124) 
VIBR .0, 0.00200 = C(126) TO C(120) 
VIBR .0, 0.00100 = C(126) TO C(127) 
VIBR .0, 0.00100 = C(126) TO N(128) 
VIBR .0, 0.00200 = C(127) TO C(125) 
VIBR .0, 0.00200 = N(128) TO C(125) 
VIBR .0, 0.00200 = N(128) TO C(127) 
VIBR .0, 0.00100 = C(127) TO N(130) 
VIBR .0, 0.00200 = N(130) TO C(126) 
VIBR .0, 0.00100 = N(128) TO N(129) 
VIBR .0, 0.00100 = N(128) TO CO(1) 
VIBR .0, 0.00200 = N(129) TO C(126) 
VIBR .0, 0.00200 = CO(1) TO C(126) 
VIBR .0, 0.00200 = CO(1) TO N(129) 
VIBR .0, 0.00100 = N(129) TO N(130) 
VIBR .0, 0.00200 = N(130) TO N(128) 
VIBR .0, 0.00100 = N(130) TO C(131) 
VIBR .0, 0.00200 = C(127) TO N(129) 
VIBR .0, 0.00200 = C(131) TO N(129) 
VIBR .0, 0.00200 = C(131) TO C(127) 
VIBR .0, 0.00100 = C(131) TO C(132) 
VIBR .0, 0.00200 = C(132) TO N(130) 
VIBR .0, 0.00100 = C(132) TO C(133) 
VIBR .0, 0.00100 = C(132) TO C(137) 
VIBR .0, 0.00200 = C(133) TO C(131) 
VIBR .0, 0.00200 = C(137) TO C(131) 
VIBR .0, 0.00200 = C(137) TO C(133) 
VIBR .0, 0.00100 = C(133) TO C(134) 
VIBR .0, 0.00200 = C(134) TO C(132) 
VIBR .0, 0.00100 = C(134) TO C(135) 
VIBR .0, 0.00200 = C(135) TO C(133) 
VIBR .0, 0.00100 = C(135) TO C(136) 
VIBR .0, 0.00100 = C(135) TO C(142) 
VIBR .0, 0.00200 = C(136) TO C(134) 
VIBR .0, 0.00200 = C(142) TO C(134) 
VIBR .0, 0.00200 = C(142) TO C(136) 
VIBR .0, 0.00100 = C(136) TO C(137) 
VIBR .0, 0.00200 = C(137) TO C(135) 
VIBR .0, 0.00200 = C(132) TO C(136) 
VIBR .0, 0.00100 = C(138) TO C(139) 
VIBR .0, 0.00100 = C(138) TO C(140) 
VIBR .0, 0.00100 = C(138) TO C(141) 
VIBR .0, 0.00200 = C(139) TO C(103) 
VIBR .0, 0.00200 = C(140) TO C(103) 
VIBR .0, 0.00200 = C(140) TO C(139) 
VIBR .0, 0.00200 = C(141) TO C(103) 
VIBR .0, 0.00200 = C(141) TO C(139) 
VIBR .0, 0.00200 = C(141) TO C(140) 
VIBR .0, 0.00100 = C(142) TO C(143) 
VIBR .0, 0.00100 = C(142) TO C(144) 
VIBR .0, 0.00100 = C(142) TO C(145) 
VIBR .0, 0.00200 = C(143) TO C(135) 
VIBR .0, 0.00200 = C(144) TO C(135) 
VIBR .0, 0.00200 = C(144) TO C(143) 
VIBR .0, 0.00200 = C(145) TO C(135) 
VIBR .0, 0.00200 = C(145) TO C(143) 
VIBR .0, 0.00200 = C(145) TO C(144) 
VIBR .0, 0.00100 = C(201) TO C(202) 
VIBR .0, 0.00100 = C(202) TO O(203) 
VIBR .0, 0.00200 = O(203) TO C(201) 
VIBR .0, 0.00100 = O(203) TO C(204) 
VIBR .0, 0.00200 = C(204) TO C(202) 
VIBR .0, 0.00100 = C(205) TO C(204) 
VIBR .0, 0.00100 = C(211) TO C(212) 
VIBR .0, 0.00100 = C(212) TO O(213) 
VIBR .0, 0.00100 = C(211) TO C(214) 
VIBR .0, 0.00100 = C(214) TO O(213) 
VIBR .0, 0.00200 = O(213) TO C(211) 
VIBR .0, 0.00200 = C(212,-1,1,0,1,1) TO C(212) 
VIBR .0, 0.00200 = C(214,-1,1,0,1,1) TO C(214) 
VIBR .0, 0.00200 = N(110) TO N(10) 
VIBR .0, 0.00200 = N(28) TO N(10) 
VIBR .0, 0.00200 = N(28) TO N(110) 
VIBR .0, 0.00200 = N(128) TO N(10) 
VIBR .0, 0.00200 = N(128) TO N(110) 
VIBR .0, 0.00200 = N(128) TO N(28) 
VIBR .0, 0.00200 = N(119) TO N(10) 
VIBR .0, 0.00200 = N(119) TO N(110) 
VIBR .0, 0.00200 = N(119) TO N(28) 
VIBR .0, 0.00200 = N(119) TO N(128) 
VIBR .0, 0.00200 = N(19) TO N(10) 
VIBR .0, 0.00200 = N(19) TO N(110) 
VIBR .0, 0.00200 = N(19) TO N(28) 
VIBR .0, 0.00200 = N(19) TO N(128) 
VIBR .0, 0.00200 = N(19) TO N(119) 
VIBR .0, 0.00100 = F(13) TO B(1) 
VIBR .0, 0.00100 = B(1) TO F(14) 
VIBR .0, 0.00100 = B(1) TO F(12) 
VIBR .0, 0.00100 = B(1) TO F(11) 
VIBR .0, 0.00200 = F(14) TO F(13) 
VIBR .0, 0.00200 = F(12) TO F(13) 
VIBR .0, 0.00200 = F(12) TO F(14) 
VIBR .0, 0.00200 = F(11) TO F(13) 
VIBR .0, 0.00200 = F(11) TO F(14) 
VIBR .0, 0.00200 = F(11) TO F(12) 
VIBR .0, 0.00200 = O(203) TO C(205) 
VIBR .0, 0.00200 = O(213) TO C(211) 
REM   DELU   END (DO NOT REMOVE THIS LINE) 
REM   THERMSIM   START (DO NOT REMOVE THIS LINE) 
U(IJ) .0, 0.01000 = C(1) TO C(2) 
U(IJ) .0, 0.01000 = C(1) TO C(6) 
U(IJ) .0, 0.01000 = C(2) TO C(3) 
U(IJ) .0, 0.01000 = C(3) TO C(4) 
U(IJ) .0, 0.01000 = C(3) TO C(38) 
U(IJ) .0, 0.01000 = C(4) TO C(5) 
U(IJ) .0, 0.01000 = C(5) TO C(6) 
U(IJ) .0, 0.01000 = C(6) TO C(7) 
U(IJ) .0, 0.01000 = C(7) TO N(8) 
U(IJ) .0, 0.01000 = N(8) TO N(9) 
U(IJ) .0, 0.01000 = N(8) TO C(11) 
U(IJ) .0, 0.01000 = N(9) TO N(10) 
U(IJ) .0, 0.01000 = N(10) TO C(12) 
U(IJ) .0, 0.01000 = N(10) TO CO(1) 
U(IJ) .0, 0.01000 = C(11) TO C(12) 
U(IJ) .0, 0.01000 = C(12) TO C(13) 
U(IJ) .0, 0.01000 = C(13) TO C(14) 
U(IJ) .0, 0.01000 = C(13) TO C(18) 
U(IJ) .0, 0.01000 = C(14) TO C(15) 
U(IJ) .0, 0.01000 = C(15) TO C(16) 
U(IJ) .0, 0.01000 = C(16) TO C(17) 
U(IJ) .0, 0.01000 = C(17) TO C(18) 
U(IJ) .0, 0.01000 = C(17) TO C(21) 
U(IJ) .0, 0.01000 = C(18) TO N(19) 
U(IJ) .0, 0.01000 = N(19) TO C(20) 
U(IJ) .0, 0.01000 = N(19) TO CO(1) 
U(IJ) .0, 0.01000 = C(20) TO C(21) 
U(IJ) .0, 0.01000 = C(20) TO C(25) 
U(IJ) .0, 0.01000 = C(21) TO C(22) 
U(IJ) .0, 0.01000 = C(22) TO C(23) 
U(IJ) .0, 0.01000 = C(23) TO C(24) 
U(IJ) .0, 0.01000 = C(24) TO C(25) 
U(IJ) .0, 0.01000 = C(25) TO C(26) 
U(IJ) .0, 0.01000 = C(26) TO C(27) 
U(IJ) .0, 0.01000 = C(26) TO N(28) 
U(IJ) .0, 0.01000 = C(27) TO N(30) 
U(IJ) .0, 0.01000 = N(28) TO N(29) 
U(IJ) .0, 0.01000 = N(28) TO CO(1) 
U(IJ) .0, 0.01000 = N(29) TO N(30) 
U(IJ) .0, 0.01000 = N(30) TO C(31) 
U(IJ) .0, 0.01000 = C(31) TO C(32) 
U(IJ) .0, 0.01000 = C(32) TO C(33) 
U(IJ) .0, 0.01000 = C(32) TO C(37) 
U(IJ) .0, 0.01000 = C(33) TO C(34) 
U(IJ) .0, 0.01000 = C(34) TO C(35) 
U(IJ) .0, 0.01000 = C(35) TO C(36) 
U(IJ) .0, 0.01000 = C(35) TO C(42) 
U(IJ) .0, 0.01000 = C(36) TO C(37) 
U(IJ) .0, 0.02000 = C(38) TO C(39) 
U(IJ) .0, 0.02000 = C(38) TO C(40) 
U(IJ) .0, 0.02000 = C(38) TO C(41) 
U(IJ) .0, 0.02000 = C(42) TO C(43) 
U(IJ) .0, 0.02000 = C(42) TO C(44) 
U(IJ) .0, 0.02000 = C(42) TO C(45) 
U(IJ) .0, 0.01000 = C(101) TO C(102) 
U(IJ) .0, 0.01000 = C(101) TO C(106) 
U(IJ) .0, 0.01000 = C(102) TO C(103) 
U(IJ) .0, 0.01000 = C(103) TO C(104) 
U(IJ) .0, 0.01000 = C(103) TO C(138) 
U(IJ) .0, 0.01000 = C(104) TO C(105) 
U(IJ) .0, 0.01000 = C(105) TO C(106) 
U(IJ) .0, 0.01000 = C(106) TO C(107) 
U(IJ) .0, 0.01000 = C(107) TO N(108) 
U(IJ) .0, 0.01000 = N(108) TO N(109) 
U(IJ) .0, 0.01000 = N(108) TO C(111) 
U(IJ) .0, 0.01000 = N(109) TO N(110) 
U(IJ) .0, 0.01000 = N(110) TO C(112) 
U(IJ) .0, 0.01000 = N(110) TO CO(1) 
U(IJ) .0, 0.01000 = C(111) TO C(112) 
U(IJ) .0, 0.01000 = C(112) TO C(113) 
U(IJ) .0, 0.01000 = C(113) TO C(114) 
U(IJ) .0, 0.01000 = C(113) TO C(118) 
U(IJ) .0, 0.01000 = C(114) TO C(115) 
U(IJ) .0, 0.01000 = C(115) TO C(116) 
U(IJ) .0, 0.01000 = C(116) TO C(117) 
U(IJ) .0, 0.01000 = C(117) TO C(118) 
U(IJ) .0, 0.01000 = C(117) TO C(121) 
U(IJ) .0, 0.01000 = C(118) TO N(119) 
U(IJ) .0, 0.01000 = N(119) TO C(120) 
U(IJ) .0, 0.01000 = N(119) TO CO(1) 
U(IJ) .0, 0.01000 = C(120) TO C(121) 
U(IJ) .0, 0.01000 = C(120) TO C(125) 
U(IJ) .0, 0.01000 = C(121) TO C(122) 
U(IJ) .0, 0.01000 = C(122) TO C(123) 
U(IJ) .0, 0.01000 = C(123) TO C(124) 
U(IJ) .0, 0.01000 = C(124) TO C(125) 
U(IJ) .0, 0.01000 = C(125) TO C(126) 
U(IJ) .0, 0.01000 = C(126) TO C(127) 
U(IJ) .0, 0.01000 = C(126) TO N(128) 
U(IJ) .0, 0.01000 = C(127) TO N(130) 
U(IJ) .0, 0.01000 = N(128) TO N(129) 
U(IJ) .0, 0.01000 = N(128) TO CO(1) 
U(IJ) .0, 0.01000 = N(129) TO N(130) 
U(IJ) .0, 0.01000 = N(130) TO C(131) 
U(IJ) .0, 0.01000 = C(131) TO C(132) 
U(IJ) .0, 0.01000 = C(132) TO C(133) 
U(IJ) .0, 0.01000 = C(132) TO C(137) 
U(IJ) .0, 0.01000 = C(133) TO C(134) 
U(IJ) .0, 0.01000 = C(134) TO C(135) 
U(IJ) .0, 0.01000 = C(135) TO C(136) 
U(IJ) .0, 0.01000 = C(135) TO C(142) 
U(IJ) .0, 0.01000 = C(136) TO C(137) 
U(IJ) .0, 0.02000 = C(138) TO C(139) 
U(IJ) .0, 0.02000 = C(138) TO C(140) 
U(IJ) .0, 0.02000 = C(138) TO C(141) 
U(IJ) .0, 0.02000 = C(142) TO C(143) 
U(IJ) .0, 0.02000 = C(142) TO C(144) 
U(IJ) .0, 0.02000 = C(142) TO C(145) 
U(IJ) .0, 0.02000 = C(201) TO C(202) 
U(IJ) .0, 0.01000 = C(202) TO O(203) 
U(IJ) .0, 0.01000 = O(203) TO C(204) 
U(IJ) .0, 0.02000 = C(205) TO C(204) 
U(IJ) .0, 0.01000 = C(211) TO C(212) 
U(IJ) .0, 0.01000 = C(212) TO O(213) 
U(IJ) .0, 0.01000 = C(211) TO C(214) 
U(IJ) .0, 0.01000 = C(214) TO O(213) 
U(IJ) .0, 0.02000 = F(13) TO B(1) 
U(IJ) .0, 0.02000 = B(1) TO F(14) 
U(IJ) .0, 0.02000 = B(1) TO F(12) 
U(IJ) .0, 0.02000 = B(1) TO F(11) 
REM   THERMSIM   END (DO NOT REMOVE THIS LINE) 
END                                                                             
;