<i>N</i>,<i>N</i>'-Ethylenebis(4,6-dimethoxysalicylideneiminato)copper(II) monohydrate
Labisbal, E.; Romero, J.; García-Vázquez, J. A.; Sousa, A.; Castellano, E. E.; Zukerman-Schpector, J.; Acta Crystallographica Section C 50 (1994) 1043–1044; doi:10.1107/S0108270193013757

data_2009882
_publ_section_title
;
 <i>N</i>,<i>N</i>'-Ethylenebis(4,6-dimethoxysalicylideneiminato)copper(II)
 monohydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1043
_journal_page_last               1044
_journal_paper_doi               10.1107/S0108270193013757
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C20 H24 Cu1 N2 O7'
_chemical_formula_sum            'C20 H24 Cu N2 O7'
_chemical_formula_weight         467.96
_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                 104.676(6)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   29.172(2)
_cell_length_b                   7.7545(9)
_cell_length_c                   18.4990(10)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    293
_cell_measurement_theta_max      53
_cell_measurement_theta_min      16
_cell_volume                     4048.2(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2787
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        +-0.82
_diffrn_standards_interval_time  30
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.88
_exptl_absorpt_correction_T_max  1.56
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.54
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.31
_refine_ls_goodness_of_fit_obs   1.79
_refine_ls_hydrogen_treatment
'H atoms refined in fixed positions with one overall U~iso~ = 0.081(4)\%A^2^'
_refine_ls_number_parameters     272
_refine_ls_number_reflns         2089
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~) + 0.0003F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.049
_reflns_number_observed          2089
_reflns_number_total             2684
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1083.cif
_cod_data_source_block           mu1083_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~) + 0.0003F~o~^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~o~) +
0.0003F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4048.2(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C20 H24 Cu1 N2 O7'
_cod_database_code               2009882