Tetra-μ-acetato-<i>O</i>:<i>O</i>'-bis[(7-azaindole-<i>N</i>)copper(II)]
Kani, Yoshiyuki; Tsuchimoto, Masanobu; Ohba, Shigeru; Acta Crystallographica Section C 56 (2000) e193–e193; doi:10.1107/S0108270100005540

data_2010955
_publ_section_title
;
 Tetra-\m-acetato-<i>O</i>:<i>O</i>'-bis[(7-azaindole-<i>N</i>)copper(II)]
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e193
_journal_page_last               e193
_journal_paper_doi               10.1107/S0108270100005540
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Cu2 (C2 H3 O2)4 (C7 H6 N2)2]'
_chemical_formula_sum            'C22 H24 Cu2 N4 O8'
_chemical_formula_weight         599.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.75(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.453(5)
_cell_length_b                   14.911(5)
_cell_length_c                   11.458(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1212.7(11)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full .9993
_diffrn_measured_fraction_theta_max .9993
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .035
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3109
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.809
_exptl_absorpt_correction_T_max  .854
_exptl_absorpt_correction_T_min  .745
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .1
_refine_diff_density_max         .56
_refine_diff_density_min         -.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .93
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     163
_refine_ls_number_reflns         2779
_refine_ls_R_factor_gt           .041
_refine_ls_shift/su_max          .007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1(Fo^2^ + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .148
_reflns_number_gt                1860
_reflns_number_total             2779
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0273.cif
_cod_data_source_block           I
_cod_original_cell_volume        1212.7(10)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2010955
_cod_database_fobs_code          2010955