Structure of a binuclear copper(II) complex with both μ-alkoxo and μ-formato bridges, [Cu~2~(C~17~H~15~N~2~O~3~)(HCOO)]
Kawata, T.; Ohba, S.; Nishida, Y.; Tokii, T.; Acta Crystallographica Section C 49 (1993) 2070–2072; doi:10.1107/S0108270193004779

data_2001136
_publ_section_title
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 Structure of a binuclear copper(II) complex with both \m-alkoxo and
 \m-formato bridges, [Cu~2~(C~17~H~15~N~2~O~3~)(HCOO)]
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_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2070
_journal_page_last               2072
_journal_paper_doi               10.1107/S0108270193004779
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C18 H16 Cu2 N2 O5'
_chemical_formula_weight         467.4
_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                90.0
_cell_angle_beta                 105.690(10)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   12.756(2)
_cell_length_b                   14.451(2)
_cell_length_c                   9.8050(10)
_cell_measurement_reflns_used    34
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1740.1(4)
_diffrn_measurement_device       'Rigaku AFC-5 four-circle diffractometer'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4163
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 100
_diffrn_standards_number         5
_exptl_absorpt_coefficient_mu    2.483
_exptl_absorpt_correction_T_max  0.573
_exptl_absorpt_correction_T_min  0.369
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            'Dark green'
_exptl_crystal_density_diffrn    1.784
_exptl_crystal_density_meas      1.78(2)
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.06
_refine_diff_density_min         -1.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   4.65
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     309
_refine_ls_number_reflns         2497
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.133
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.046
_reflns_number_observed          2497
_reflns_number_total             3991
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            oh1028.cif
_cod_data_source_block           oh1028_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^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^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_database_code               2001136