Bis(μ-2-aminoethanesulfonato)-κ^3^<i>N</i>,<i>O</i>:<i>O</i>';κ^3^<i>O</i>':<i>N</i>,<i>O</i>-bis[(bipyridine-κ^2^<i>N</i>,<i>N</i>')(perchlorato-κ<i>O</i>)copper(II)]
Jin-Hua Cai; Yi-Min Jiang; Xiu-Jian Wang; Zhi-Min Liu; Acta Crystallographica Section E 60 (2004) m1659–m1661; doi:10.1107/S1600536804025541

data_2204597
_publ_section_title
Bis(\m-2-aminoethanesulfonato)-\k^3^<i>N</i>,<i>O</i>:<i>O</i>';\k^3^<i>O</i>':<i>N</i>,<i>O</i>-bis[(bipyridine-\k^2^<i>N</i>,<i>N</i>')(perchlorato-\k<i>O</i>)copper(II)]
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1659
_journal_page_last               m1661
_journal_paper_doi               10.1107/S1600536804025541
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu2 (C2 H6 N O3 S)2 (Cl O4)2 (C10 H8 N2)2]'
_chemical_formula_moiety         'C24 H28 Cl2 Cu2 N6 O14 S2'
_chemical_formula_sum            'C24 H28 Cl2 Cu2 N6 O14 S2'
_chemical_formula_weight         886.65
_chemical_name_systematic
;
Bis(\m-2-aminoethanesulfonato)-\k^3^N,O:O';\k^3^O':N,O;-bis[(bipyridine-
\k^2^N,N')(perchlorate-\kO)copper(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.401(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.741(3)
_cell_length_b                   15.58(3)
_cell_length_c                   15.126(6)
_cell_measurement_reflns_used    105
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.9
_cell_volume                     1588(3)
_computing_cell_refinement       XSCANS
_computing_data_collection       'XSCANS (Siemens, 1994)'
_computing_data_reduction        'SHELXTL (Siemens, 1994)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXS97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1996)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_av_sigmaI/netI    0.036
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12077
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         1.9
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.72
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.814
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.13
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.13
_refine_ls_R_factor_all          0.051
_refine_ls_R_factor_gt           0.038
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1151P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.114
_refine_ls_wR_factor_ref         0.166
_reflns_number_gt                3102
_reflns_number_total             3601
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya6222.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2204597