<i>trans</i>-[Co(salen)(py)~2~][BPh~4~]
Shi, Xiao-Hui; You, Xiao-Zeng; Li, Cun; Song, Bao-Lin; Li, Ting-Hao; Huang, Xiao-Ying; Acta Crystallographica Section C 51 (1995) 206–207; doi:10.1107/S0108270194009091

data_2010483
_publ_section_title
;
 <i>trans</i>-[Co(salen)(py)~2~][BPh~4~]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              206
_journal_page_last               207
_journal_paper_doi               10.1107/S0108270194009091
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C50 H44 B Co N4 O2'
_chemical_formula_weight         802.67
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 113.22(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.740(10)
_cell_length_b                   13.570(4)
_cell_length_c                   19.65(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.74
_cell_measurement_theta_min      13.99
_cell_volume                     4102(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.00469
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            7806
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.460
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.952
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Dark brown'
_exptl_crystal_density_diffrn    1.30
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.17
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     523
_refine_ls_number_reflns         4728
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(|F~o~|)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.056
_reflns_number_observed          4912
_reflns_number_total             7563
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            mu1116.cif
_cod_data_source_block           mu1116_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/\s^2^(|F~o~|)' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w=1/\s^2^(|F~o~|)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4102(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C50 H44 B1 Co1 N4 O2'
_cod_database_code               2010483