Tetrakis(μ-benzoato-<i>O</i>:<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>')dicopper(II)
Hökelek, T.; Necefouglu, H.; Balcı, M.; Acta Crystallographica Section C 51 (1995) 2020–2023; doi:10.1107/S0108270195000618

data_2003963
_publ_section_title
Tetrakis(\m-benzoato-<i>O</i>:<i>O</i>')bis(<i>N</i>,<i>N</i>-diethylnicotinamide-<i>N</i>')dicopper(II)
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2020
_journal_page_last               2023
_journal_paper_doi               10.1107/S0108270195000618
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C48 H48 Cu2 N4 O10'
_chemical_formula_weight         968.2
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.881(2)
_cell_length_b                   19.772(3)
_cell_length_c                   21.563(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      10
_cell_measurement_theta_min      7
_cell_volume                     4639.0(13)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .0141
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -01
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -01
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -01
_diffrn_reflns_number            5121
_diffrn_reflns_theta_max         24
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 250
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.954
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.772
_exptl_crystal_description       'Block like'
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .22
_exptl_crystal_size_min          .22
_refine_diff_density_max         .01
_refine_diff_density_min         -0.01
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   .36
_refine_ls_hydrogen_treatment
'H atoms located geometrically and not refined'
_refine_ls_number_parameters     289
_refine_ls_number_reflns         2770
_refine_ls_R_factor_obs          .0453
_refine_ls_shift/esd_max         .01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;Modified unit weights (F < 28.39, w=1.0; F >= 28.39, w=[28.39/F];
F^2^ =< 2\sF^2^, w=0.0
;
_refine_ls_wR_factor_obs         .0486
_reflns_number_observed          2770
_reflns_number_total             3676
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ab1221.cif
_cod_data_source_block           ab1221a
_cod_original_cell_volume        4639.0(10)
_cod_original_sg_symbol_Hall     '-P 2bc -2ac'
_cod_database_code               2003963