<i>catena</i>-Poly[[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-9,10-dioxoanthracene-1,5-disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^]
Jia, Jia; Zhang, Youdi; Zhao, Yanhui; Acta Crystallographica Section E 65 (2009) m1580–m1581; doi:10.1107/S1600536809046881

data_2224431
_publ_section_title
<i>catena</i>-Poly[[bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cadmium(II)]-\m-9,10-dioxoanthracene-1,5-disulfonato-\k^2^<i>O</i>^1^:<i>O</i>^5^]
_journal_coeditor_code           SI2219
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1580
_journal_page_last               m1581
_journal_paper_doi               10.1107/S1600536809046881
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cd (C14 H6 O8 S2) (C10 H8 N2)2]'
_chemical_formula_moiety         'C34 H22 Cd N4 O8 S2'
_chemical_formula_sum            'C34 H22 Cd N4 O8 S2'
_chemical_formula_weight         791.08
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cadmium(II)]-
\m-9,10-dioxoanthracene-1,5-disulfonato-\k^2^<i>O^1^</i>:<i>O</i>^5^]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.0440(10)
_cell_angle_beta                 90.2390(10)
_cell_angle_gamma                97.0250(10)
_cell_formula_units_Z            2
_cell_length_a                   10.3807(7)
_cell_length_b                   10.7406(8)
_cell_length_c                   13.1289(9)
_cell_measurement_reflns_used    6497
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.94
_cell_measurement_theta_min      2.53
_cell_volume                     1449.08(18)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2003)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg & Berndt,
1999)
;
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0100
_diffrn_reflns_av_sigmaI/netI    0.0193
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7435
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.964
_exptl_absorpt_correction_T_max  0.8159
_exptl_absorpt_correction_T_min  0.8016
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            PINK
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.290
_refine_diff_density_min         -0.471
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         5078
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0238
_refine_ls_R_factor_gt           0.0219
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0345P)^2^+0.8688P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0606
_reflns_number_gt                4773
_reflns_number_total             5078
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            si2219.cif
_cod_data_source_block           I
_cod_database_code               2224431
_cod_database_fobs_code          2224431