Transition Metal Complexes as Linkages for Assembly of Supertetrahedral T4 Clusters
Yu-Hong Wang; Ming-Hui Zhang; Yun-Meng Yan; Guo-Qing Bian; Qin-Yu Zhu; Jie Dai; Inorganic Chemistry 49 (2010) 9731–9733; doi:10.1021/ic100088n

data_4316884
_publ_section_title
;
 Transition Metal Complexes as Linkages for Assembly of Supertetrahedral
 T4 Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9731
_journal_page_last               9733
_journal_paper_doi               10.1021/ic100088n
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C186 H52 Co19 In32 N58 O2 S76'
_chemical_formula_weight         10361.33
_chemical_name_systematic
; 
 ? 
;
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                64.189(4)
_cell_angle_beta                 73.679(5)
_cell_angle_gamma                85.685(7)
_cell_formula_units_Z            1
_cell_length_a                   18.4153(8)
_cell_length_b                   24.1811(9)
_cell_length_c                   27.0841(4)
_cell_measurement_reflns_used    44511
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      3.0
_cell_volume                     10404.4(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0759
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            82198
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    2.885
_exptl_absorpt_correction_T_max  0.649
_exptl_absorpt_correction_T_min  0.368
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication '
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4887
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.635
_refine_diff_density_min         -1.993
_refine_diff_density_rms         0.187
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1412
_refine_ls_number_reflns         36397
_refine_ls_number_restraints     288
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.1008
_refine_ls_R_factor_gt           0.0733
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0002P)^2^+160.8415P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1409
_reflns_number_gt                25882
_reflns_number_total             36397
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100088n_si_002_2.cif
_cod_data_source_block           2
_cod_original_cell_volume        10404.4(6)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4316884