Facile generation of iridium PCcarbeneP pincer complexes via water elimination from an alcohol proligand
Sung, Simon; Young, Rowan Drury; Dalton Trans.  (2017) –; doi:10.1039/C7DT03690F

data_7044523
_publ_section_title
;
 Facile generation of iridium PCcarbeneP pincer complexes via water
 elimination from an alcohol proligand
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT03690F
_journal_year                    2017
_chemical_formula_moiety         'C80 H59 B1 F24 Ir1 P2'
_chemical_formula_sum            'C80 H59 B F24 Ir P2'
_chemical_formula_weight         1741.28
_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     direct
_audit_creation_date             2017-10-19
_audit_creation_method           CRYSTALS_ver_14.61
_audit_update_record
;
2017-10-20 deposited with the CCDC.
2017-10-24 downloaded from the CCDC.
;
_cell_angle_alpha                61.9894(14)
_cell_angle_beta                 78.9200(14)
_cell_angle_gamma                87.8968(17)
_cell_formula_units_Z            2
_cell_length_a                   12.8273(6)
_cell_length_b                   17.8318(8)
_cell_length_c                   18.1429(7)
_cell_measurement_reflns_used    14694
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      26.421
_cell_measurement_theta_min      2.225
_cell_volume                     3588.6(3)
_computing_cell_refinement       'USER DEFINED CELL REFINEMENT'
_computing_data_collection       'USER DEFINED DATA COLLECTION'
_computing_data_reduction        'USER DEFINED DATA REDUCTION'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       Serial
_diffrn_measurement_device_type  Unknown
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.058
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            64890
_diffrn_reflns_theta_full        26.421
_diffrn_reflns_theta_max         26.421
_diffrn_reflns_theta_min         2.225
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.013
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6511
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1734
_exptl_crystal_size_max          0.121
_exptl_crystal_size_mid          0.113
_exptl_crystal_size_min          0.071
_refine_diff_density_max         5.39
_refine_diff_density_min         -1.41
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0409
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     973
_refine_ls_number_reflns         14640
_refine_ls_number_restraints     1057
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0405
_refine_ls_shift/su_max          0.0026803
_refine_ls_shift/su_mean         0.0000376
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[\s^2^(F^2^) + ( 0.02P)^2^ +17.84P] 
 ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0891
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0891
_reflns_limit_h_max              16
_reflns_limit_h_min              -15
_reflns_limit_k_max              22
_reflns_limit_k_min              -19
_reflns_limit_l_max              22
_reflns_limit_l_min              0
_reflns_number_gt                12927
_reflns_number_total             14694
_reflns_threshold_expression     I>2.0\s(I)
_oxford_diffrn_Wilson_B_factor   0.88
_oxford_diffrn_Wilson_scale      128.40
_oxford_refine_ls_r_factor_ref   0.0490
_oxford_refine_ls_scale          0.091813(14)
_oxford_reflns_number_all        14641
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title CCDC_1568122_Compound_6
_cod_data_source_file            c7dt03690f2.cif
_cod_data_source_block           Compound6
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C80 H59 B1 F24 Ir1 P2'
_cod_database_code               7044523
_iucr_refine_instructions_details_constraints
;
BLOCK SCALE X'S  U'S 
END                                                                             
;
_iucr_refine_instructions_details_restraints
;
NO 
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, 0.00020 = IR(1) TO P(2) 
VIBR .0, 0.00020 = IR(1) TO C(1) 
VIBR .0, 0.00020 = IR(1) TO P(1) 
VIBR .0, 0.00020 = IR(1) TO C(41) 
VIBR .0, 0.00020 = IR(1) TO C(44) 
VIBR .0, 0.00020 = IR(1) TO C(45) 
VIBR .0, 0.00020 = IR(1) TO C(46) 
VIBR .0, 0.00020 = IR(1) TO C(2) 
VIBR .0, 0.00050 = C(1) TO P(2) 
VIBR .0, 0.00050 = P(1) TO P(2) 
VIBR .0, 0.00050 = P(1) TO C(1) 
VIBR .0, 0.00050 = C(41) TO P(2) 
VIBR .0, 0.00050 = C(41) TO C(1) 
VIBR .0, 0.00050 = C(41) TO P(1) 
VIBR .0, 0.00050 = C(44) TO P(2) 
VIBR .0, 0.00050 = C(44) TO C(1) 
VIBR .0, 0.00050 = C(44) TO P(1) 
VIBR .0, 0.00050 = C(44) TO C(41) 
VIBR .0, 0.00050 = C(45) TO P(2) 
VIBR .0, 0.00050 = C(45) TO C(1) 
VIBR .0, 0.00050 = C(45) TO P(1) 
VIBR .0, 0.00050 = C(45) TO C(41) 
VIBR .0, 0.00050 = C(45) TO C(44) 
VIBR .0, 0.00050 = C(46) TO P(2) 
VIBR .0, 0.00050 = C(46) TO C(1) 
VIBR .0, 0.00050 = C(46) TO P(1) 
VIBR .0, 0.00050 = C(46) TO C(41) 
VIBR .0, 0.00050 = C(46) TO C(44) 
VIBR .0, 0.00050 = C(46) TO C(45) 
VIBR .0, 0.00050 = C(2) TO P(2) 
VIBR .0, 0.00050 = C(2) TO C(1) 
VIBR .0, 0.00050 = C(2) TO P(1) 
VIBR .0, 0.00050 = C(2) TO C(41) 
VIBR .0, 0.00050 = C(2) TO C(44) 
VIBR .0, 0.00050 = C(2) TO C(45) 
VIBR .0, 0.00050 = C(2) TO C(46) 
VIBR .0, 0.00020 = P(2) TO C(3) 
VIBR .0, 0.00020 = P(2) TO C(29) 
VIBR .0, 0.00020 = P(2) TO C(35) 
VIBR .0, 0.00050 = C(3) TO IR(1) 
VIBR .0, 0.00050 = C(29) TO IR(1) 
VIBR .0, 0.00050 = C(29) TO C(3) 
VIBR .0, 0.00050 = C(35) TO IR(1) 
VIBR .0, 0.00050 = C(35) TO C(3) 
VIBR .0, 0.00050 = C(35) TO C(29) 
VIBR .0, 0.00020 = C(3) TO C(4) 
VIBR .0, 0.00020 = C(3) TO C(28) 
VIBR .0, 0.00050 = C(4) TO P(2) 
VIBR .0, 0.00050 = C(28) TO P(2) 
VIBR .0, 0.00050 = C(28) TO C(4) 
VIBR .0, 0.00020 = C(4) TO C(1) 
VIBR .0, 0.00020 = C(4) TO C(25) 
VIBR .0, 0.00050 = C(1) TO C(3) 
VIBR .0, 0.00050 = C(25) TO C(3) 
VIBR .0, 0.00050 = C(25) TO C(1) 
VIBR .0, 0.00020 = C(1) TO C(6) 
VIBR .0, 0.00050 = IR(1) TO C(4) 
VIBR .0, 0.00050 = C(6) TO C(4) 
VIBR .0, 0.00050 = C(6) TO IR(1) 
VIBR .0, 0.00020 = C(6) TO C(7) 
VIBR .0, 0.00020 = C(6) TO C(24) 
VIBR .0, 0.00050 = C(24) TO C(1) 
VIBR .0, 0.00050 = C(24) TO C(7) 
VIBR .0, 0.00002 = C(7) TO C(21) 
VIBR .0, 0.00050 = P(1) TO C(6) 
VIBR .0, 0.00050 = C(21) TO C(6) 
VIBR .0, 0.00050 = C(21) TO P(1) 
VIBR .0, 0.00020 = P(1) TO C(15) 
VIBR .0, 0.00050 = C(9) TO C(7) 
VIBR .0, 0.00050 = C(9) TO IR(1) 
VIBR .0, 0.00050 = C(15) TO C(7) 
VIBR .0, 0.00050 = C(15) TO IR(1) 
VIBR .0, 0.00050 = C(15) TO C(9) 
VIBR .0, 0.00020 = C(9) TO C(10) 
VIBR .0, 0.00020 = C(9) TO C(14) 
VIBR .0, 0.00050 = C(14) TO C(10) 
VIBR .0, 0.00020 = C(10) TO C(11) 
VIBR .0, 0.00050 = C(11) TO C(9) 
VIBR .0, 0.00020 = C(11) TO C(12) 
VIBR .0, 0.00050 = C(12) TO C(10) 
VIBR .0, 0.00020 = C(12) TO C(13) 
VIBR .0, 0.00050 = C(13) TO C(11) 
VIBR .0, 0.00020 = C(13) TO C(14) 
VIBR .0, 0.00050 = C(14) TO C(12) 
VIBR .0, 0.00050 = C(13) TO C(9) 
VIBR .0, 0.00020 = C(15) TO C(16) 
VIBR .0, 0.00020 = C(15) TO C(20) 
VIBR .0, 0.00050 = C(20) TO C(16) 
VIBR .0, 0.00020 = C(16) TO C(17) 
VIBR .0, 0.00050 = C(17) TO C(15) 
VIBR .0, 0.00020 = C(17) TO C(18) 
VIBR .0, 0.00050 = C(18) TO C(16) 
VIBR .0, 0.00020 = C(18) TO C(19) 
VIBR .0, 0.00050 = C(19) TO C(17) 
VIBR .0, 0.00020 = C(19) TO C(20) 
VIBR .0, 0.00050 = C(20) TO C(18) 
VIBR .0, 0.00050 = C(19) TO C(15) 
VIBR .0, 0.00020 = C(21) TO C(22) 
VIBR .0, 0.00005 = C(22) TO C(7) 
VIBR .0, 0.00020 = C(22) TO C(23) 
VIBR .0, 0.00050 = C(23) TO C(21) 
VIBR .0, 0.00020 = C(23) TO C(24) 
VIBR .0, 0.00050 = C(24) TO C(22) 
VIBR .0, 0.00050 = C(23) TO C(6) 
VIBR .0, 0.00020 = C(25) TO C(26) 
VIBR .0, 0.00050 = C(26) TO C(4) 
VIBR .0, 0.00020 = C(26) TO C(27) 
VIBR .0, 0.00050 = C(27) TO C(25) 
VIBR .0, 0.00020 = C(27) TO C(28) 
VIBR .0, 0.00050 = C(28) TO C(26) 
VIBR .0, 0.00050 = C(27) TO C(3) 
VIBR .0, 0.00020 = C(29) TO C(30) 
VIBR .0, 0.00020 = C(29) TO C(34) 
VIBR .0, 0.00050 = C(30) TO P(2) 
VIBR .0, 0.00050 = C(34) TO P(2) 
VIBR .0, 0.00050 = C(34) TO C(30) 
VIBR .0, 0.00020 = C(30) TO C(31) 
VIBR .0, 0.00050 = C(31) TO C(29) 
VIBR .0, 0.00020 = C(31) TO C(32) 
VIBR .0, 0.00050 = C(32) TO C(30) 
VIBR .0, 0.00020 = C(32) TO C(33) 
VIBR .0, 0.00050 = C(33) TO C(31) 
VIBR .0, 0.00020 = C(33) TO C(34) 
VIBR .0, 0.00050 = C(34) TO C(32) 
VIBR .0, 0.00050 = C(29) TO C(33) 
VIBR .0, 0.00020 = C(35) TO C(36) 
VIBR .0, 0.00020 = C(35) TO C(40) 
VIBR .0, 0.00050 = C(36) TO P(2) 
VIBR .0, 0.00050 = C(40) TO P(2) 
VIBR .0, 0.00050 = C(40) TO C(36) 
VIBR .0, 0.00020 = C(36) TO C(37) 
VIBR .0, 0.00050 = C(37) TO C(35) 
VIBR .0, 0.00020 = C(37) TO C(38) 
VIBR .0, 0.00050 = C(38) TO C(36) 
VIBR .0, 0.00020 = C(38) TO C(39) 
VIBR .0, 0.00050 = C(39) TO C(37) 
VIBR .0, 0.00020 = C(39) TO C(40) 
VIBR .0, 0.00050 = C(40) TO C(38) 
VIBR .0, 0.00050 = C(39) TO C(35) 
VIBR .0, 0.00020 = C(41) TO C(42) 
VIBR .0, 0.00020 = C(41) TO C(2) 
VIBR .0, 0.00050 = C(42) TO IR(1) 
VIBR .0, 0.00050 = C(2) TO IR(1) 
VIBR .0, 0.00050 = C(2) TO C(42) 
VIBR .0, 0.00020 = C(42) TO C(43) 
VIBR .0, 0.00050 = C(43) TO C(41) 
VIBR .0, 0.00020 = C(43) TO C(44) 
VIBR .0, 0.00050 = C(44) TO C(42) 
VIBR .0, 0.00020 = C(44) TO C(45) 
VIBR .0, 0.00050 = IR(1) TO C(43) 
VIBR .0, 0.00050 = C(45) TO C(43) 
VIBR .0, 0.00050 = C(45) TO IR(1) 
VIBR .0, 0.00020 = C(45) TO C(46) 
VIBR .0, 0.00050 = C(44) TO IR(1) 
VIBR .0, 0.00050 = C(46) TO IR(1) 
VIBR .0, 0.00050 = C(46) TO C(44) 
VIBR .0, 0.00020 = C(46) TO C(47) 
VIBR .0, 0.00050 = C(45) TO IR(1) 
VIBR .0, 0.00050 = C(47) TO IR(1) 
VIBR .0, 0.00050 = C(47) TO C(45) 
VIBR .0, 0.00020 = C(47) TO C(2) 
VIBR .0, 0.00050 = C(2) TO C(46) 
VIBR .0, 0.00020 = F(48) TO C(49) 
VIBR .0, 0.00020 = C(49) TO F(50) 
VIBR .0, 0.00020 = C(49) TO F(51) 
VIBR .0, 0.00020 = C(49) TO C(52) 
VIBR .0, 0.00050 = F(50) TO F(48) 
VIBR .0, 0.00050 = F(51) TO F(48) 
VIBR .0, 0.00050 = F(51) TO F(50) 
VIBR .0, 0.00050 = C(52) TO F(48) 
VIBR .0, 0.00050 = C(52) TO F(50) 
VIBR .0, 0.00050 = C(52) TO F(51) 
VIBR .0, 0.00020 = C(52) TO C(53) 
VIBR .0, 0.00020 = C(52) TO C(57) 
VIBR .0, 0.00050 = C(53) TO C(49) 
VIBR .0, 0.00050 = C(57) TO C(49) 
VIBR .0, 0.00050 = C(57) TO C(53) 
VIBR .0, 0.00020 = C(53) TO C(54) 
VIBR .0, 0.00050 = C(54) TO C(52) 
VIBR .0, 0.00020 = C(54) TO C(55) 
VIBR .0, 0.00020 = C(54) TO C(101) 
VIBR .0, 0.00050 = C(55) TO C(53) 
VIBR .0, 0.00050 = C(101) TO C(53) 
VIBR .0, 0.00050 = C(101) TO C(55) 
VIBR .0, 0.00020 = C(55) TO C(56) 
VIBR .0, 0.00050 = C(56) TO C(54) 
VIBR .0, 0.00020 = C(56) TO C(57) 
VIBR .0, 0.00020 = C(56) TO B(1) 
VIBR .0, 0.00050 = C(57) TO C(55) 
VIBR .0, 0.00050 = B(1) TO C(55) 
VIBR .0, 0.00050 = B(1) TO C(57) 
VIBR .0, 0.00050 = C(56) TO C(52) 
VIBR .0, 0.00020 = B(1) TO C(59) 
VIBR .0, 0.00020 = B(1) TO C(73) 
VIBR .0, 0.00020 = B(1) TO C(87) 
VIBR .0, 0.00050 = C(59) TO C(56) 
VIBR .0, 0.00050 = C(73) TO C(56) 
VIBR .0, 0.00050 = C(73) TO C(59) 
VIBR .0, 0.00050 = C(87) TO C(56) 
VIBR .0, 0.00050 = C(87) TO C(59) 
VIBR .0, 0.00050 = C(87) TO C(73) 
VIBR .0, 0.00020 = C(59) TO C(60) 
VIBR .0, 0.00020 = C(59) TO C(64) 
VIBR .0, 0.00050 = C(60) TO B(1) 
VIBR .0, 0.00050 = C(64) TO B(1) 
VIBR .0, 0.00050 = C(64) TO C(60) 
VIBR .0, 0.00020 = C(60) TO C(61) 
VIBR .0, 0.00050 = C(61) TO C(59) 
VIBR .0, 0.00020 = C(61) TO C(62) 
VIBR .0, 0.00020 = C(61) TO C(69) 
VIBR .0, 0.00050 = C(62) TO C(60) 
VIBR .0, 0.00050 = C(69) TO C(60) 
VIBR .0, 0.00050 = C(69) TO C(62) 
VIBR .0, 0.00020 = C(62) TO C(63) 
VIBR .0, 0.00050 = C(63) TO C(61) 
VIBR .0, 0.00020 = C(63) TO C(64) 
VIBR .0, 0.00020 = C(63) TO C(65) 
VIBR .0, 0.00050 = C(64) TO C(62) 
VIBR .0, 0.00050 = C(65) TO C(62) 
VIBR .0, 0.00050 = C(65) TO C(64) 
VIBR .0, 0.00050 = C(63) TO C(59) 
VIBR .0, 0.00020 = C(65) TO F(66) 
VIBR .0, 0.00020 = C(65) TO F(67) 
VIBR .0, 0.00020 = C(65) TO F(68) 
VIBR .0, 0.00050 = F(66) TO C(63) 
VIBR .0, 0.00050 = F(67) TO C(63) 
VIBR .0, 0.00050 = F(67) TO F(66) 
VIBR .0, 0.00050 = F(68) TO C(63) 
VIBR .0, 0.00050 = F(68) TO F(66) 
VIBR .0, 0.00050 = F(68) TO F(67) 
VIBR .0, 0.00020 = C(69) TO F(70) 
VIBR .0, 0.00020 = C(69) TO F(71) 
VIBR .0, 0.00020 = C(69) TO F(72) 
VIBR .0, 0.00050 = F(70) TO C(61) 
VIBR .0, 0.00050 = F(71) TO C(61) 
VIBR .0, 0.00050 = F(71) TO F(70) 
VIBR .0, 0.00050 = F(72) TO C(61) 
VIBR .0, 0.00050 = F(72) TO F(70) 
VIBR .0, 0.00050 = F(72) TO F(71) 
VIBR .0, 0.00020 = C(73) TO C(74) 
VIBR .0, 0.00020 = C(73) TO C(82) 
VIBR .0, 0.00050 = C(74) TO B(1) 
VIBR .0, 0.00050 = C(82) TO B(1) 
VIBR .0, 0.00050 = C(82) TO C(74) 
VIBR .0, 0.00020 = C(74) TO C(75) 
VIBR .0, 0.00050 = C(75) TO C(73) 
VIBR .0, 0.00020 = C(75) TO C(76) 
VIBR .0, 0.00020 = C(75) TO C(80) 
VIBR .0, 0.00050 = C(76) TO C(74) 
VIBR .0, 0.00050 = C(80) TO C(74) 
VIBR .0, 0.00050 = C(80) TO C(76) 
VIBR .0, 0.00020 = C(76) TO F(77) 
VIBR .0, 0.00020 = C(76) TO F(78) 
VIBR .0, 0.00020 = C(76) TO F(79) 
VIBR .0, 0.00050 = F(77) TO C(75) 
VIBR .0, 0.00050 = F(78) TO C(75) 
VIBR .0, 0.00050 = F(78) TO F(77) 
VIBR .0, 0.00050 = F(79) TO C(75) 
VIBR .0, 0.00050 = F(79) TO F(77) 
VIBR .0, 0.00050 = F(79) TO F(78) 
VIBR .0, 0.00020 = C(80) TO C(81) 
VIBR .0, 0.00050 = C(81) TO C(75) 
VIBR .0, 0.00020 = C(81) TO C(82) 
VIBR .0, 0.00020 = C(81) TO C(83) 
VIBR .0, 0.00050 = C(82) TO C(80) 
VIBR .0, 0.00050 = C(83) TO C(80) 
VIBR .0, 0.00050 = C(83) TO C(82) 
VIBR .0, 0.00050 = C(81) TO C(73) 
VIBR .0, 0.00020 = C(83) TO F(84) 
VIBR .0, 0.00020 = C(83) TO F(85) 
VIBR .0, 0.00020 = C(83) TO F(86) 
VIBR .0, 0.00050 = F(84) TO C(81) 
VIBR .0, 0.00050 = F(85) TO C(81) 
VIBR .0, 0.00050 = F(85) TO F(84) 
VIBR .0, 0.00050 = F(86) TO C(81) 
VIBR .0, 0.00050 = F(86) TO F(84) 
VIBR .0, 0.00050 = F(86) TO F(85) 
VIBR .0, 0.00020 = C(87) TO C(88) 
VIBR .0, 0.00020 = C(87) TO C(96) 
VIBR .0, 0.00050 = C(88) TO B(1) 
VIBR .0, 0.00050 = C(96) TO B(1) 
VIBR .0, 0.00050 = C(96) TO C(88) 
VIBR .0, 0.00020 = C(88) TO C(89) 
VIBR .0, 0.00050 = C(89) TO C(87) 
VIBR .0, 0.00020 = C(89) TO C(90) 
VIBR .0, 0.00020 = C(89) TO C(94) 
VIBR .0, 0.00050 = C(90) TO C(88) 
VIBR .0, 0.00050 = C(94) TO C(88) 
VIBR .0, 0.00050 = C(94) TO C(90) 
VIBR .0, 0.00020 = C(90) TO F(91) 
VIBR .0, 0.00020 = C(90) TO F(92) 
VIBR .0, 0.00020 = C(90) TO F(93) 
VIBR .0, 0.00050 = F(91) TO C(89) 
VIBR .0, 0.00050 = F(92) TO C(89) 
VIBR .0, 0.00050 = F(92) TO F(91) 
VIBR .0, 0.00050 = F(93) TO C(89) 
VIBR .0, 0.00050 = F(93) TO F(91) 
VIBR .0, 0.00050 = F(93) TO F(92) 
VIBR .0, 0.00020 = C(94) TO C(95) 
VIBR .0, 0.00050 = C(95) TO C(89) 
VIBR .0, 0.00020 = C(95) TO C(96) 
VIBR .0, 0.00020 = C(95) TO C(97) 
VIBR .0, 0.00050 = C(96) TO C(94) 
VIBR .0, 0.00050 = C(97) TO C(94) 
VIBR .0, 0.00050 = C(97) TO C(96) 
VIBR .0, 0.00050 = C(95) TO C(87) 
VIBR .0, 0.00020 = C(97) TO F(98) 
VIBR .0, 0.00020 = C(97) TO F(99) 
VIBR .0, 0.00020 = C(97) TO F(100) 
VIBR .0, 0.00050 = F(98) TO C(95) 
VIBR .0, 0.00050 = F(99) TO C(95) 
VIBR .0, 0.00050 = F(99) TO F(98) 
VIBR .0, 0.00050 = F(100) TO C(95) 
VIBR .0, 0.00050 = F(100) TO F(98) 
VIBR .0, 0.00050 = F(100) TO F(99) 
VIBR .0, 0.00020 = C(101) TO F(102) 
VIBR .0, 0.00020 = C(101) TO F(103) 
VIBR .0, 0.00020 = C(101) TO F(104) 
VIBR .0, 0.00050 = F(102) TO C(54) 
VIBR .0, 0.00050 = F(103) TO C(54) 
VIBR .0, 0.00050 = F(103) TO F(102) 
VIBR .0, 0.00050 = F(104) TO C(54) 
VIBR .0, 0.00050 = F(104) TO F(102) 
VIBR .0, 0.00050 = F(104) TO F(103) 
VIBR .0, 0.00020 = C(105) TO C(106) 
VIBR .0, 0.00020 = C(106) TO C(107) 
VIBR .0, 0.00050 = C(107) TO C(105) 
VIBR .0, 0.00020 = C(107) TO C(107,-1,1,0,1,1) 
VIBR .0, 0.00050 = C(106) TO C(107,-1,1,0,1,1) 
VIBR .0, 0.00050 = IR(1) TO C(47) 
VIBR .0, 0.00050 = C(41) TO C(47) 
VIBR .0, 0.00050 = C(41) TO IR(1) 
REM   DELU   END (DO NOT REMOVE THIS LINE) 
REM   THERMSIM   START (DO NOT REMOVE THIS LINE) 
U(IJ) .0, 0.00400 = IR(1) TO P(2) 
U(IJ) .0, 0.00400 = IR(1) TO C(1) 
U(IJ) .0, 0.00400 = IR(1) TO P(1) 
U(IJ) .0, 0.00400 = IR(1) TO C(41) 
U(IJ) .0, 0.00400 = IR(1) TO C(44) 
U(IJ) .0, 0.00400 = IR(1) TO C(45) 
U(IJ) .0, 0.00400 = IR(1) TO C(46) 
U(IJ) .0, 0.00400 = IR(1) TO C(2) 
U(IJ) .0, 0.00400 = P(2) TO C(3) 
U(IJ) .0, 0.00400 = P(2) TO C(29) 
U(IJ) .0, 0.00400 = P(2) TO C(35) 
U(IJ) .0, 0.00400 = C(3) TO C(4) 
U(IJ) .0, 0.00400 = C(3) TO C(28) 
U(IJ) .0, 0.00400 = C(4) TO C(1) 
U(IJ) .0, 0.00400 = C(4) TO C(25) 
U(IJ) .0, 0.00400 = C(1) TO C(6) 
U(IJ) .0, 0.00400 = C(6) TO C(7) 
U(IJ) .0, 0.00040 = C(6) TO C(24) 
U(IJ) .0, 0.00040 = C(7) TO C(22) 
U(IJ) .0, 0.00400 = P(1) TO C(9) 
U(IJ) .0, 0.00400 = P(1) TO C(15) 
U(IJ) .0, 0.00400 = C(9) TO C(10) 
U(IJ) .0, 0.00400 = C(9) TO C(14) 
U(IJ) .0, 0.00400 = C(10) TO C(11) 
U(IJ) .0, 0.00400 = C(11) TO C(12) 
U(IJ) .0, 0.00400 = C(12) TO C(13) 
U(IJ) .0, 0.00400 = C(13) TO C(14) 
U(IJ) .0, 0.00400 = C(15) TO C(16) 
U(IJ) .0, 0.00400 = C(15) TO C(20) 
U(IJ) .0, 0.00400 = C(16) TO C(17) 
U(IJ) .0, 0.00400 = C(17) TO C(18) 
U(IJ) .0, 0.00400 = C(18) TO C(19) 
U(IJ) .0, 0.00400 = C(19) TO C(20) 
U(IJ) .0, 0.00400 = C(21) TO C(22) 
U(IJ) .0, 0.00400 = C(22) TO C(23) 
U(IJ) .0, 0.00400 = C(23) TO C(24) 
U(IJ) .0, 0.00400 = C(25) TO C(26) 
U(IJ) .0, 0.00400 = C(26) TO C(27) 
U(IJ) .0, 0.00400 = C(27) TO C(28) 
U(IJ) .0, 0.00400 = C(29) TO C(30) 
U(IJ) .0, 0.00400 = C(29) TO C(34) 
U(IJ) .0, 0.00400 = C(30) TO C(31) 
U(IJ) .0, 0.00400 = C(31) TO C(32) 
U(IJ) .0, 0.00400 = C(32) TO C(33) 
U(IJ) .0, 0.00400 = C(33) TO C(34) 
U(IJ) .0, 0.00400 = C(35) TO C(36) 
U(IJ) .0, 0.00400 = C(35) TO C(40) 
U(IJ) .0, 0.00400 = C(36) TO C(37) 
U(IJ) .0, 0.00400 = C(37) TO C(38) 
U(IJ) .0, 0.00400 = C(38) TO C(39) 
U(IJ) .0, 0.00400 = C(39) TO C(40) 
U(IJ) .0, 0.00400 = C(41) TO C(42) 
U(IJ) .0, 0.00400 = C(41) TO C(2) 
U(IJ) .0, 0.00400 = C(42) TO C(43) 
U(IJ) .0, 0.00400 = C(43) TO C(44) 
U(IJ) .0, 0.00400 = C(44) TO C(45) 
U(IJ) .0, 0.00400 = C(45) TO C(46) 
U(IJ) .0, 0.00400 = C(46) TO C(47) 
U(IJ) .0, 0.00400 = C(47) TO C(2) 
U(IJ) .0, 0.00800 = F(48) TO C(49) 
U(IJ) .0, 0.00800 = C(49) TO F(50) 
U(IJ) .0, 0.00800 = C(49) TO F(51) 
U(IJ) .0, 0.00400 = C(49) TO C(52) 
U(IJ) .0, 0.00400 = C(52) TO C(53) 
U(IJ) .0, 0.00400 = C(52) TO C(57) 
U(IJ) .0, 0.00400 = C(53) TO C(54) 
U(IJ) .0, 0.00400 = C(54) TO C(55) 
U(IJ) .0, 0.00400 = C(54) TO C(101) 
U(IJ) .0, 0.00400 = C(55) TO C(56) 
U(IJ) .0, 0.00400 = C(56) TO C(57) 
U(IJ) .0, 0.00400 = C(56) TO B(1) 
U(IJ) .0, 0.00400 = B(1) TO C(59) 
U(IJ) .0, 0.00400 = B(1) TO C(73) 
U(IJ) .0, 0.00400 = B(1) TO C(87) 
U(IJ) .0, 0.00400 = C(59) TO C(60) 
U(IJ) .0, 0.00400 = C(59) TO C(64) 
U(IJ) .0, 0.00400 = C(60) TO C(61) 
U(IJ) .0, 0.00400 = C(61) TO C(62) 
U(IJ) .0, 0.00400 = C(61) TO C(69) 
U(IJ) .0, 0.00400 = C(62) TO C(63) 
U(IJ) .0, 0.00400 = C(63) TO C(64) 
U(IJ) .0, 0.00400 = C(63) TO C(65) 
U(IJ) .0, 0.00800 = C(65) TO F(66) 
U(IJ) .0, 0.00800 = C(65) TO F(67) 
U(IJ) .0, 0.00800 = C(65) TO F(68) 
U(IJ) .0, 0.00800 = C(69) TO F(70) 
U(IJ) .0, 0.00800 = C(69) TO F(71) 
U(IJ) .0, 0.00800 = C(69) TO F(72) 
U(IJ) .0, 0.00400 = C(73) TO C(74) 
U(IJ) .0, 0.00400 = C(73) TO C(82) 
U(IJ) .0, 0.00400 = C(74) TO C(75) 
U(IJ) .0, 0.00400 = C(75) TO C(76) 
U(IJ) .0, 0.00400 = C(75) TO C(80) 
U(IJ) .0, 0.00800 = C(76) TO F(77) 
U(IJ) .0, 0.00800 = C(76) TO F(78) 
U(IJ) .0, 0.00800 = C(76) TO F(79) 
U(IJ) .0, 0.00400 = C(80) TO C(81) 
U(IJ) .0, 0.00400 = C(81) TO C(82) 
U(IJ) .0, 0.00400 = C(81) TO C(83) 
U(IJ) .0, 0.00800 = C(83) TO F(84) 
U(IJ) .0, 0.00800 = C(83) TO F(85) 
U(IJ) .0, 0.00800 = C(83) TO F(86) 
U(IJ) .0, 0.00400 = C(87) TO C(88) 
U(IJ) .0, 0.00400 = C(87) TO C(96) 
U(IJ) .0, 0.00400 = C(88) TO C(89) 
U(IJ) .0, 0.00400 = C(89) TO C(90) 
U(IJ) .0, 0.00400 = C(89) TO C(94) 
U(IJ) .0, 0.00800 = C(90) TO F(91) 
U(IJ) .0, 0.00800 = C(90) TO F(92) 
U(IJ) .0, 0.00800 = C(90) TO F(93) 
U(IJ) .0, 0.00400 = C(94) TO C(95) 
U(IJ) .0, 0.00400 = C(95) TO C(96) 
U(IJ) .0, 0.00400 = C(95) TO C(97) 
U(IJ) .0, 0.00800 = C(97) TO F(98) 
U(IJ) .0, 0.00800 = C(97) TO F(99) 
U(IJ) .0, 0.00800 = C(97) TO F(100) 
U(IJ) .0, 0.00800 = C(101) TO F(102) 
U(IJ) .0, 0.00800 = C(101) TO F(103) 
U(IJ) .0, 0.00800 = C(101) TO F(104) 
U(IJ) .0, 0.00800 = C(105) TO C(106) 
U(IJ) .0, 0.00400 = C(106) TO C(107) 
U(IJ) .0, 0.00400 = C(107) TO C(107,-1,1,0,1,1) 
REM   THERMSIM   END (DO NOT REMOVE THIS LINE) 
END                                                                             
;