(μ-η2:η2-Disulfido)dinickel(II) complexes supported by 6-methyl-TPA ligands
Inosako, Masayuki; Kunishita, Atsushi; Kubo, Minoru; Ogura, Takashi; Sugimoto, Hideki; Itoh, Shinobu; Dalton Transactions  (2009) 9410–9417; doi:10.1039/b910237j

data_7002689
_publ_section_title
;
 (\m-\h2:\h2-Disulfido)dinickel(II) complexes supported by 6-methyl-TPA
 ligands
;
_journal_issue                   43
_journal_name_full               'Dalton Transactions'
_journal_page_first              9410
_journal_page_last               9417
_journal_paper_doi               10.1039/b910237j
_journal_year                    2009
_chemical_formula_moiety         'C44 H52 Cl6 N8 Ni2 O8 S2 '
_chemical_formula_sum            'C44 H52 Cl6 N8 Ni2 O8 S2'
_chemical_formula_weight         1215.18
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.92(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   12.689(9)
_cell_length_b                   12.570(8)
_cell_length_c                   33.509(18)
_cell_measurement_reflns_used    18488
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     5294(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.107
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            47841
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    1.150
_exptl_absorpt_correction_T_max  0.708
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2504.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.88
_refine_diff_density_min         -1.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.862
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     683
_refine_ls_number_reflns         7612
_refine_ls_R_factor_gt           0.0653
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0221
_reflns_number_gt                2580
_reflns_number_total             11979
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b910237j.txt
_cod_data_source_block           '_2_3'
_cod_original_formula_sum        'C44 H52 Cl6 N8 Ni2 O8 S2 '
_cod_database_code               7002689