Di-μ-salicylato-κ^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N,N</i>')copper(II)] bis(salicylic acid)
Wang, Yue; Okabe, Nobuo; Acta Crystallographica Section E 60 (2004) m1434–m1436; doi:10.1107/S1600536804022615

data_2204286
_publ_section_title
;Di-\m-salicylato-\k^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-\k^2^<i>N,N</i>')copper(II)]
 bis(salicylic acid)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1434
_journal_page_last               m1436
_journal_paper_doi               10.1107/S1600536804022615
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu2 (C7 H4 O3 )2 (C10 H8 N2 )2 ] , 2C7H 6 O3'
_chemical_formula_moiety         'C34 H24 Cu2 N4 O6, 2 C7 H6 O3'
_chemical_formula_sum            'C48 H36 Cu2 N4 O12'
_chemical_formula_weight         987.91
_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                 109.25(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.460(10)
_cell_length_b                   17.79(2)
_cell_length_c                   12.040(10)
_cell_measurement_reflns_used    13777
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     2115(4)
_computing_cell_refinement       CrystalStructure
_computing_data_collection
;
CrystalStructure (Rigaku & Rigaku/MSC, 2000-2004)
;
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'SHELXL97 (Scheldrick, 1997)'
_computing_structure_solution
'SIR97 (Altomare et al., 1999) and DIRDIF (Beurskens et al., 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9952
_diffrn_measured_fraction_theta_max 0.9952
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20430
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.078
_exptl_absorpt_correction_T_max  0.948
_exptl_absorpt_correction_T_min  0.534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lath
_exptl_crystal_F_000             1012.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.08
_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.854
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     304
_refine_ls_number_reflns         4824
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0917P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1310
_reflns_number_gt                2392
_reflns_number_total             4824
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            cf6371.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -p_2yab
_cod_original_formula_sum        'C48 H36 Cu2 N4 O12 '
_cod_database_code               2204286
_cod_database_fobs_code          2204286