Structure of μ-pyrazine-bis[bis(hexafluoroacetylacetonato)copper(II)]
Romero, R. R.; Porter, L. C.; Acta Crystallographica Section C 49 (1993) 1487–1489; doi:10.1107/S0108270193001854

data_2001449
_publ_section_title
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 Structure of \m-pyrazine-bis[bis(hexafluoroacetylacetonato)copper(II)]
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_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1487
_journal_page_last               1489
_journal_paper_doi               10.1107/S0108270193001854
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C24 H8 Cu2 F24 N2 O8'
_chemical_formula_weight         1035.4
_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                 93.05(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.760(3)
_cell_length_b                   6.763(3)
_cell_length_c                   23.722(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7.5
_cell_volume                     1723.8(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  0.0201
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            2488
_diffrn_reflns_theta_max         20
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.410
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.995
_exptl_crystal_description       'Prismatic habit'
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.45
_refine_ls_goodness_of_fit_obs   0.96
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     271
_refine_ls_number_reflns         1630
_refine_ls_R_factor_obs          0.0745
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0013F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0591
_reflns_number_observed          1630
_reflns_number_total             1630
_cod_data_source_file            hh1035.cif
_cod_data_source_block           hh1035_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.0013F^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) +
0.0013F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2001449