Bis[methylenebis(diphenylphosphine)-<i>P</i>,<i>P</i>']nickel(II) diperchlorate
Li, Yi-Zhi; Liu, Jia-Cheng; Wang, Zhi-Ping; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu; Acta Crystallographica Section C 56 (2000) e286–e287; doi:10.1107/S0108270100007824

data_2011176
_publ_section_title
;
 Bis[methylenebis(diphenylphosphine)-<i>P</i>,<i>P</i>']nickel(II)
 diperchlorate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e286
_journal_page_last               e287
_journal_paper_doi               10.1107/S0108270100007824
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Ni(C25 H22 P2)2] (Cl O4)2'
_chemical_formula_moiety         'C50 H44 Ni P4 2+, 2Cl O4 1-'
_chemical_formula_sum            'C50 H44 Cl2 Ni O8 P4'
_chemical_formula_weight         1026.32
_chemical_name_systematic
;
Bis[methylenebis(diphenylphosphine)-P,P']nickel(II) diperchlorate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.320(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.226(2)
_cell_length_b                   17.836(2)
_cell_length_c                   12.932(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.79
_cell_measurement_theta_min      14.19
_cell_volume                     2412.1(7)
_computing_cell_refinement       'CAD-4 Operations Manual'
_computing_data_collection       'CAD-4 Operations Manual (Enraf-Nonius, 1977)'
_computing_data_reduction
'PROCESS in TEXSAN (Molecular Structure Corporation, 1987)'
_computing_publication_material  'GCIF (local program)'
_computing_structure_refinement  'LS in TEXSAN)'
_computing_structure_solution    'MITHRIL (Gilmore, 1983)'
_diffrn_measurement_device_type  'Enraf Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .033
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4624
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        1.0
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .699
_exptl_absorpt_correction_T_max  .889
_exptl_absorpt_correction_T_min  .773
_exptl_absorpt_correction_type   '\y scans'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            'Green yellow'
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1060
_exptl_crystal_size_max          .38
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .17
_refine_diff_density_max         .287
_refine_diff_density_min         -.248
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     \w/2\q
_refine_ls_goodness_of_fit_ref   1.22
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         3262
_refine_ls_restrained_S_all      1.22
_refine_ls_R_factor_gt           .033
_refine_ls_shift/su_max          .05
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .044
_reflns_number_gt                4340
_reflns_number_total             4431
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            qb0214.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2412.0(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C50 H44 Cl2 Ni1 O8 P4'
_cod_database_code               2011176
_cod_database_fobs_code          2011176