Bis(phenylthiolato-<i>S</i>)bis(tri-<i>n</i>-butylphosphine-<i>P</i>)nickel(II), [Ni(SPh)~2~(P^<i>n^</i>Bu~3~)~2~]
Cao, R.; Jiang, F.; Hong, M.; Li, H.; Liu, H.; Acta Crystallographica Section C 51 (1995) 1552–1554; doi:10.1107/S0108270194014940

data_2003753
_publ_section_title
;Bis(phenylthiolato-<i>S</i>)bis(tri-<i>n</i>-butylphosphine-<i>P</i>)nickel(II),
 [Ni(SPh)~2~(P^<i>n^</i>Bu~3~)~2~]
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1552
_journal_page_last               1554
_journal_paper_doi               10.1107/S0108270194014940
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C36 H64 Ni1 P2 S2'
_chemical_formula_sum            'C36 H64 Ni P2 S2'
_chemical_formula_weight         681.70
_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_type_scat_source           IntTabIV
_cell_angle_alpha                93.23(3)
_cell_angle_beta                 96.52(3)
_cell_angle_gamma                78.22(2)
_cell_formula_units_Z            1
_cell_length_a                   10.259(3)
_cell_length_b                   12.016(4)
_cell_length_c                   8.420(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      12
_cell_measurement_theta_min      6
_cell_volume                     1008.9(6)
_diffrn_measurement_device       'MSC/Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       13
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3750
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.6802
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.891
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'brown red'
_exptl_crystal_density_diffrn    1.122
_exptl_crystal_description       rectangular
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.43
_refine_diff_density_min         -0.42
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.55
_refine_ls_hydrogen_treatment    'H atoms not located'
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2788
_refine_ls_R_factor_obs          0.050
_refine_ls_shift/esd_max         0.10
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.063
_reflns_number_observed          2788
_reflns_number_total             3689
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            bk1083.cif
_cod_data_source_block           bk1083a
_cod_original_cell_volume        1008.93
_cod_original_formula_sum        'C36 H64 Ni1 P2 S2'
_cod_database_code               2003753