Tris(2,2'-bipyridine)zinc(II) Perchlorate
Chen, X.-M.; Wang, R.-Q.; Yu, X.-L.; Acta Crystallographica Section C 51 (1995) 1545–1547; doi:10.1107/S0108270195000321

data_2003793
_publ_section_title
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 Tris(2,2'-bipyridine)zinc(II) Perchlorate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1545
_journal_page_last               1547
_journal_paper_doi               10.1107/S0108270195000321
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C30 H24 Cl2 N6 O8 Zn1'
_chemical_formula_sum            'C30 H24 Cl2 N6 O8 Zn'
_chemical_formula_weight         732.8
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 91.17(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   17.473(3)
_cell_length_b                   10.926(2)
_cell_length_c                   16.163(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      23
_cell_measurement_theta_min      15
_cell_volume                     3085.0(10)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0212
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            3678
_diffrn_reflns_theta_max         55
_diffrn_standards_decay_%        +-1.5
_diffrn_standards_interval_count 120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.034
_exptl_absorpt_correction_T_max  0.562
_exptl_absorpt_correction_T_min  0.467
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_description       polyhedral
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.36
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.60
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.05
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     213
_refine_ls_number_reflns         2763
_refine_ls_R_factor_obs          0.0470
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0005F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0646
_reflns_number_observed          2763
_reflns_number_total             3566
_reflns_observed_criterion       F>=6\s(F)
_cod_data_source_file            jz1001.cif
_cod_data_source_block           jz1001a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.0005F^2^]'
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) +
0.0005F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3085(1)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C30 H24 Cl2 N6 O8 Zn1'
_cod_database_code               2003793