<i>trans</i>-Bis(acetato-<i>O</i>)bis(4-methylpyridine-<i>N</i>)copper(II)
Jedrzejas, M.J.; Towns, R.L.R.; Baker, R.J.; Duraj, S.A.; Hepp, A.F.; Acta Crystallographica Section C 50 (1994) 1442–1443; doi:10.1107/S0108270193013502

data_2010036
_publ_section_title
;
 <i>trans</i>-Bis(acetato-<i>O</i>)bis(4-methylpyridine-<i>N</i>)copper(II)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1442
_journal_page_last               1443
_journal_paper_doi               10.1107/S0108270193013502
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C16 H20 Cu N2 O4'
_chemical_formula_weight         367.89
_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                 92.02(3)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   6.194(2)
_cell_length_b                   16.474(6)
_cell_length_c                   8.270(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15.8
_cell_measurement_theta_min      2.44
_cell_volume                     843.3(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.39
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            1689
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <5.1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.295
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.878
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.300
_refine_diff_density_min         -0.355
_refine_ls_extinction_coef       '2.1 x 10^-6^'
_refine_ls_extinction_method     'F~c~ = F~c~/(1 + gI~c~)'
_refine_ls_goodness_of_fit_obs   1.142
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     107
_refine_ls_number_reflns         873
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s(F~o~)^2^]^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.053
_reflns_number_observed          873
_reflns_number_total             1478
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hh1030.cif
_cod_data_source_block           hh1030_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4F~o~^2^/[\s(F~o~)^2^]^2^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4F~o~^2^/[\s(F~o~)^2^]^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        843.5(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C16 H20 Cu1 N2 O4'
_cod_database_code               2010036