Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies
Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau; Inorganic Chemistry 52 (2013) 8723–8731; doi:10.1021/ic4009015

data_4335561
_publ_section_title
;
 Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a
 Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln =
 La-Lu): Synthesis and Magnetostructural Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8723
_journal_page_last               8731
_journal_paper_doi               10.1021/ic4009015
_journal_volume                  52
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C54 H70 Cl6 Cu8 Gd3 N6 O28, 3(Cl)'
_chemical_formula_sum            'C54 H70 Cl9 Cu8 Gd3 N6 O28'
_chemical_formula_weight         2550.36
_space_group_IT_number           155
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   22.1460(10)
_cell_length_b                   22.1460(10)
_cell_length_c                   20.699(2)
_cell_measurement_reflns_used    8974
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.5159
_cell_measurement_theta_min      3.4244
_cell_volume                     8791.7(10)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_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    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 10.4685
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) x-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            24080
_diffrn_reflns_theta_full        25.143
_diffrn_reflns_theta_max         29.580
_diffrn_reflns_theta_min         3.431
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.349
_exptl_absorpt_correction_T_max  0.523
_exptl_absorpt_correction_T_min  0.409
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_description       block
_exptl_crystal_F_000             3710.988
_exptl_crystal_size_max          0.369
_exptl_crystal_size_mid          0.337
_exptl_crystal_size_min          0.266
_refine_diff_density_max         1.04
_refine_diff_density_min         -1.65
_refine_ls_abs_structure_details 'Flack (1983), 0 Friedel-pairs'
_refine_ls_abs_structure_Flack   0.50(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.9039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     167
_refine_ls_number_reflns         4914
_refine_ls_number_restraints     98
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.0019252
_refine_ls_shift/su_mean         0.0000611
_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: 
 0.903E+04 0.151E+05 0.801E+04 0.316E+04 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1096
_refine_ls_wR_factor_gt          0.0994
_refine_ls_wR_factor_ref         0.1096
_reflns_limit_h_max              14
_reflns_limit_h_min              -29
_reflns_limit_k_max              30
_reflns_limit_k_min              0
_reflns_limit_l_max              28
_reflns_limit_l_min              0
_reflns_number_gt                4231
_reflns_number_total             4915
_reflns_threshold_expression     I>2.0\s(I)
_oxford_diffrn_Wilson_B_factor   3.41
_oxford_diffrn_Wilson_scale      0.95
_oxford_refine_ls_r_factor_ref   0.0692
_oxford_refine_ls_scale          2.315(14)
_oxford_reflns_number_all        4914
_oxford_reflns_threshold_expression_ref I>-10.0\s(I)
_cod_data_source_file            ic4009015_si_001_06.cif
_cod_data_source_block           '[Gd3Cu]-6'
_cod_original_sg_symbol_H-M      'R 3 2 '
_cod_database_code               4335561
_iucr_refine_instruction_details_constraints
;
BLOCK SCALE X'S, U'S 
CONT ENANTIO 
RIDE C   (   1,X'S) H   (13,X'S) H   (  12,X'S) 
RIDE C   (   3,X'S) H   (  31,X'S) 
RIDE C   (   5,X'S) H   (  53,X'S) H   (  52,X'S) H   (  51,X'S) 
RIDE C   (   6,X'S) H   (  61,X'S) 
RIDE C   (   9,X'S) H   (  91,X'S) 
RIDE O   (   1,X'S) H   (  11,X'S) 
RIDE O   (   4,X'S) H   (  41,X'S) H   (  42,X'S) 
REM TOO MANY H ATOMS ON O   (   6), - 6 
RIDE O   (   6,X'S) H   (652,X'S) H   (651,X'S) 
END                                                                             
;
_iucr_refine_instruction_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, 0.00200 = GD(1) TO CU(2,6,3) 
VIBR .0, 0.00200 = GD(1) TO O(24,6,3) 
VIBR .0, 0.00200 = GD(1) TO O(16,4,3,-1) 
VIBR .0, 0.00200 = GD(1) TO O(16,2,1,1,1) 
VIBR .0, 0.00200 = GD(1) TO O(9,2,1,1,1) 
VIBR .0, 0.00200 = GD(1) TO O(9,4,3,-1) 
VIBR .0, 0.00200 = GD(1) TO O(3,6,3) 
VIBR .0, 0.00200 = GD(1) TO CU(2) 
VIBR .0, 0.00200 = GD(1) TO O(3) 
VIBR .0, 0.00200 = GD(1) TO O(24) 
VIBR .0, 0.00500 = O(24,6,3) TO CU(2,6,3) 
VIBR .0, 0.00500 = O(16,4,3,-1) TO CU(2,6,3) 
VIBR .0, 0.00500 = O(16,4,3,-1) TO O(24,6,3) 
VIBR .0, 0.00500 = O(16,2,1,1,1) TO CU(2,6,3) 
VIBR .0, 0.00500 = O(16,2,1,1,1) TO O(24,6,3) 
VIBR .0, 0.00500 = O(16,2,1,1,1) TO O(16,4,3,-1) 
VIBR .0, 0.00500 = O(9,2,1,1,1) TO CU(2,6,3) 
VIBR .0, 0.00500 = O(9,2,1,1,1) TO O(24,6,3) 
VIBR .0, 0.00500 = O(9,2,1,1,1) TO O(16,4,3,-1) 
VIBR .0, 0.00500 = O(9,2,1,1,1) TO O(16,2,1,1,1) 
VIBR .0, 0.00500 = O(9,4,3,-1) TO CU(2,6,3) 
VIBR .0, 0.00500 = O(9,4,3,-1) TO O(24,6,3) 
VIBR .0, 0.00500 = O(9,4,3,-1) TO O(16,4,3,-1) 
VIBR .0, 0.00500 = O(9,4,3,-1) TO O(16,2,1,1,1) 
VIBR .0, 0.00500 = O(9,4,3,-1) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = O(3,6,3) TO CU(2,6,3) 
VIBR .0, 0.00500 = O(3,6,3) TO O(24,6,3) 
VIBR .0, 0.00500 = O(3,6,3) TO O(16,4,3,-1) 
VIBR .0, 0.00500 = O(3,6,3) TO O(16,2,1,1,1) 
VIBR .0, 0.00500 = O(3,6,3) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = O(3,6,3) TO O(9,4,3,-1) 
VIBR .0, 0.00500 = CU(2) TO CU(2,6,3) 
VIBR .0, 0.00500 = CU(2) TO O(24,6,3) 
VIBR .0, 0.00500 = CU(2) TO O(16,4,3,-1) 
VIBR .0, 0.00500 = CU(2) TO O(16,2,1,1,1) 
VIBR .0, 0.00500 = CU(2) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = CU(2) TO O(9,4,3,-1) 
VIBR .0, 0.00500 = CU(2) TO O(3,6,3) 
VIBR .0, 0.00500 = O(3) TO CU(2,6,3) 
VIBR .0, 0.00500 = O(3) TO O(24,6,3) 
VIBR .0, 0.00500 = O(3) TO O(16,4,3,-1) 
VIBR .0, 0.00500 = O(3) TO O(16,2,1,1,1) 
VIBR .0, 0.00500 = O(3) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = O(3) TO O(9,4,3,-1) 
VIBR .0, 0.00500 = O(3) TO O(3,6,3) 
VIBR .0, 0.00500 = O(3) TO CU(2) 
VIBR .0, 0.00500 = O(24) TO CU(2,6,3) 
VIBR .0, 0.00500 = O(24) TO O(24,6,3) 
VIBR .0, 0.00500 = O(24) TO O(16,4,3,-1) 
VIBR .0, 0.00500 = O(24) TO O(16,2,1,1,1) 
VIBR .0, 0.00500 = O(24) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = O(24) TO O(9,4,3,-1) 
VIBR .0, 0.00500 = O(24) TO O(3,6,3) 
VIBR .0, 0.00500 = O(24) TO CU(2) 
VIBR .0, 0.00500 = O(24) TO O(3) 
VIBR .0, 0.00200 = CU(2) TO O(9,2,1,1,1) 
VIBR .0, 0.00200 = CU(2) TO N(5,2,1,1,1) 
VIBR .0, 0.00200 = CU(2) TO O(3,2,1,1,1) 
VIBR .0, 0.00200 = CU(2) TO O(3) 
VIBR .0, 0.00200 = CU(2) TO N(5) 
VIBR .0, 0.00200 = CU(2) TO CU(19) 
VIBR .0, 0.00200 = CU(2) TO CL(22) 
VIBR .0, 0.00200 = CU(2) TO CL(201) 
VIBR .0, 0.00500 = O(9,2,1,1,1) TO GD(1) 
VIBR .0, 0.00500 = N(5,2,1,1,1) TO GD(1) 
VIBR .0, 0.00500 = N(5,2,1,1,1) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = O(3,2,1,1,1) TO GD(1) 
VIBR .0, 0.00500 = O(3,2,1,1,1) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = O(3,2,1,1,1) TO N(5,2,1,1,1) 
VIBR .0, 0.00500 = O(3) TO GD(1) 
VIBR .0, 0.00500 = O(3) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = O(3) TO N(5,2,1,1,1) 
VIBR .0, 0.00500 = O(3) TO O(3,2,1,1,1) 
VIBR .0, 0.00500 = N(5) TO GD(1) 
VIBR .0, 0.00500 = N(5) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = N(5) TO N(5,2,1,1,1) 
VIBR .0, 0.00500 = N(5) TO O(3,2,1,1,1) 
VIBR .0, 0.00500 = N(5) TO O(3) 
VIBR .0, 0.00500 = CU(19) TO GD(1) 
VIBR .0, 0.00500 = CU(19) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = CU(19) TO N(5,2,1,1,1) 
VIBR .0, 0.00500 = CU(19) TO O(3,2,1,1,1) 
VIBR .0, 0.00500 = CU(19) TO O(3) 
VIBR .0, 0.00500 = CU(19) TO N(5) 
VIBR .0, 0.00500 = CL(22) TO GD(1) 
VIBR .0, 0.00500 = CL(22) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = CL(22) TO N(5,2,1,1,1) 
VIBR .0, 0.00500 = CL(22) TO O(3,2,1,1,1) 
VIBR .0, 0.00500 = CL(22) TO O(3) 
VIBR .0, 0.00500 = CL(22) TO N(5) 
VIBR .0, 0.00500 = CL(22) TO CU(19) 
VIBR .0, 0.00500 = CL(201) TO GD(1) 
VIBR .0, 0.00500 = CL(201) TO O(9,2,1,1,1) 
VIBR .0, 0.00500 = CL(201) TO N(5,2,1,1,1) 
VIBR .0, 0.00500 = CL(201) TO O(3,2,1,1,1) 
VIBR .0, 0.00500 = CL(201) TO O(3) 
VIBR .0, 0.00500 = CL(201) TO N(5) 
VIBR .0, 0.00500 = CL(201) TO CU(19) 
VIBR .0, 0.00500 = CL(201) TO CL(22) 
VIBR .0, 0.00200 = O(3) TO N(5) 
VIBR .0, 0.00500 = CU(2) TO GD(1) 
VIBR .0, 0.00500 = CU(2,3,1,0,1) TO GD(1) 
VIBR .0, 0.00500 = CU(2,3,1,0,1) TO CU(2) 
VIBR .0, 0.00500 = N(5) TO GD(1) 
VIBR .0, 0.00500 = N(5) TO CU(2) 
VIBR .0, 0.00500 = N(5) TO CU(2,3,1,0,1) 
VIBR .0, 0.00200 = N(5) TO C(6) 
VIBR .0, 0.00500 = CU(2,3,1,0,1) TO O(3) 
VIBR .0, 0.00500 = CU(2) TO O(3) 
VIBR .0, 0.00500 = CU(2) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = C(6) TO O(3) 
VIBR .0, 0.00500 = C(6) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = C(6) TO CU(2) 
VIBR .0, 0.00200 = C(6) TO C(7) 
VIBR .0, 0.00500 = C(7) TO N(5) 
VIBR .0, 0.00200 = C(7) TO C(8) 
VIBR .0, 0.00200 = C(7) TO C(2) 
VIBR .0, 0.00500 = C(8) TO C(6) 
VIBR .0, 0.00500 = C(2) TO C(6) 
VIBR .0, 0.00500 = C(2) TO C(8) 
VIBR .0, 0.00200 = C(8) TO O(9) 
VIBR .0, 0.00200 = C(8) TO C(17) 
VIBR .0, 0.00500 = O(9) TO C(7) 
VIBR .0, 0.00500 = C(17) TO C(7) 
VIBR .0, 0.00500 = C(17) TO O(9) 
VIBR .0, 0.00500 = GD(1,3,1,0,1) TO C(8) 
VIBR .0, 0.00500 = CU(2,3,1,0,1) TO C(8) 
VIBR .0, 0.00500 = CU(2,3,1,0,1) TO GD(1,3,1,0,1) 
VIBR .0, 0.00200 = C(11) TO C(12) 
VIBR .0, 0.00200 = C(11) TO C(17) 
VIBR .0, 0.00500 = C(17) TO C(12) 
VIBR .0, 0.00200 = C(12) TO C(19) 
VIBR .0, 0.00200 = C(12) TO C(2) 
VIBR .0, 0.00500 = C(19) TO C(11) 
VIBR .0, 0.00500 = C(2) TO C(11) 
VIBR .0, 0.00500 = C(2) TO C(19) 
VIBR .0, 0.00200 = O(16) TO C(1) 
VIBR .0, 0.00500 = C(1) TO GD(1,3,1,0,1) 
VIBR .0, 0.00200 = CU(19) TO CL(201,3,1,0,1) 
VIBR .0, 0.00200 = CU(19) TO CL(201,2,1,1,1) 
VIBR .0, 0.00200 = CU(19) TO CL(22) 
VIBR .0, 0.00200 = CU(19) TO O(5) 
VIBR .0, 0.00200 = CU(19) TO CL(201) 
VIBR .0, 0.00500 = CU(2,2,1,1,1) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = CU(2) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = CU(2) TO CU(2,2,1,1,1) 
VIBR .0, 0.00500 = CL(201,3,1,0,1) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = CL(201,3,1,0,1) TO CU(2,2,1,1,1) 
VIBR .0, 0.00500 = CL(201,3,1,0,1) TO CU(2) 
VIBR .0, 0.00500 = CL(201,2,1,1,1) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = CL(201,2,1,1,1) TO CU(2,2,1,1,1) 
VIBR .0, 0.00500 = CL(201,2,1,1,1) TO CU(2) 
VIBR .0, 0.00500 = CL(201,2,1,1,1) TO CL(201,3,1,0,1) 
VIBR .0, 0.00500 = CL(22) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = CL(22) TO CU(2,2,1,1,1) 
VIBR .0, 0.00500 = CL(22) TO CU(2) 
VIBR .0, 0.00500 = CL(22) TO CL(201,3,1,0,1) 
VIBR .0, 0.00500 = CL(22) TO CL(201,2,1,1,1) 
VIBR .0, 0.00500 = O(5) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = O(5) TO CU(2,2,1,1,1) 
VIBR .0, 0.00500 = O(5) TO CU(2) 
VIBR .0, 0.00500 = O(5) TO CL(201,3,1,0,1) 
VIBR .0, 0.00500 = O(5) TO CL(201,2,1,1,1) 
VIBR .0, 0.00500 = O(5) TO CL(22) 
VIBR .0, 0.00500 = CL(201) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = CL(201) TO CU(2,2,1,1,1) 
VIBR .0, 0.00500 = CL(201) TO CU(2) 
VIBR .0, 0.00500 = CL(201) TO CL(201,3,1,0,1) 
VIBR .0, 0.00500 = CL(201) TO CL(201,2,1,1,1) 
VIBR .0, 0.00500 = CL(201) TO CL(22) 
VIBR .0, 0.00500 = CL(201) TO O(5) 
VIBR .0, 0.00500 = CU(2,3,1,0,1) TO CU(19) 
VIBR .0, 0.00500 = CU(2,2,1,1,1) TO CU(19) 
VIBR .0, 0.00500 = CU(2,2,1,1,1) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = CU(2) TO CU(19) 
VIBR .0, 0.00500 = CU(2) TO CU(2,3,1,0,1) 
VIBR .0, 0.00500 = CU(2) TO CU(2,2,1,1,1) 
VIBR .0, 0.00200 = C(1) TO C(17) 
VIBR .0, 0.00500 = C(17) TO O(16) 
VIBR .0, 0.00500 = C(8) TO C(1) 
VIBR .0, 0.00500 = C(11) TO C(1) 
VIBR .0, 0.00500 = C(11) TO C(8) 
VIBR .0, 0.00500 = C(12) TO C(7) 
VIBR .0, 0.00500 = CU(19) TO CU(2) 
REM   DELU   END (DO NOT REMOVE THIS LINE) 
REM   THERMSIM   START (DO NOT REMOVE THIS LINE) 
U(IJ) .0, 0.04000 = GD(1) TO CU(2,6,3) 
U(IJ) .0, 0.04000 = GD(1) TO O(24,6,3) 
U(IJ) .0, 0.04000 = GD(1) TO O(16,4,3,-1) 
U(IJ) .0, 0.04000 = GD(1) TO O(16,2,1,1,1) 
U(IJ) .0, 0.04000 = GD(1) TO O(9,2,1,1,1) 
U(IJ) .0, 0.04000 = GD(1) TO O(9,4,3,-1) 
U(IJ) .0, 0.04000 = GD(1) TO O(3,6,3) 
U(IJ) .0, 0.04000 = GD(1) TO CU(2) 
U(IJ) .0, 0.04000 = GD(1) TO O(3) 
U(IJ) .0, 0.04000 = GD(1) TO O(24) 
U(IJ) .0, 0.04000 = CU(2) TO O(9,2,1,1,1) 
U(IJ) .0, 0.04000 = CU(2) TO N(5,2,1,1,1) 
U(IJ) .0, 0.04000 = CU(2) TO O(3,2,1,1,1) 
U(IJ) .0, 0.04000 = CU(2) TO O(3) 
U(IJ) .0, 0.04000 = CU(2) TO N(5) 
U(IJ) .0, 0.04000 = CU(2) TO CU(19) 
U(IJ) .0, 0.04000 = CU(2) TO CL(22) 
U(IJ) .0, 0.04000 = CU(2) TO CL(201) 
U(IJ) .0, 0.04000 = O(3) TO N(5) 
U(IJ) .0, 0.04000 = N(5) TO C(6) 
U(IJ) .0, 0.04000 = C(6) TO C(7) 
U(IJ) .0, 0.04000 = C(7) TO C(8) 
U(IJ) .0, 0.04000 = C(7) TO C(2) 
U(IJ) .0, 0.04000 = C(8) TO O(9) 
U(IJ) .0, 0.04000 = C(8) TO C(17) 
U(IJ) .0, 0.04000 = C(11) TO C(12) 
U(IJ) .0, 0.04000 = C(11) TO C(17) 
U(IJ) .0, 0.08000 = C(12) TO C(19) 
U(IJ) .0, 0.04000 = C(12) TO C(2) 
U(IJ) .0, 0.04000 = O(16) TO C(1) 
U(IJ) .0, 0.04000 = CU(19) TO CL(201,3,1,0,1) 
U(IJ) .0, 0.04000 = CU(19) TO CL(201,2,1,1,1) 
U(IJ) .0, 0.04000 = CU(19) TO CL(22) 
U(IJ) .0, 0.08000 = CU(19) TO O(5) 
U(IJ) .0, 0.04000 = CU(19) TO CL(201) 
U(IJ) .0, 0.04000 = C(1) TO C(17) 
REM   THERMSIM   END (DO NOT REMOVE THIS LINE) 
END                                                                             
;