<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-3,5-dinitro-2-oxidobenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>^2^]
Wen-Dong Song; Xian-Xia Guo; Rong-Fa, Guo; Acta Crystallographica Section E 63 (2007) m737–m739; doi:10.1107/S1600536807005739

data_2212674
_publ_section_title
<i>catena</i>-Poly[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')manganese(II)]-\m-3,5-dinitro-2-oxidobenzoato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>',<i>O</i>^2^]
_journal_coeditor_code           RZ2117
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m737
_journal_page_last               m739
_journal_paper_doi               10.1107/S1600536807005739
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Mn (C7 H2 N2 O7) (C10 H8 N2)]'
_chemical_formula_moiety         'C17 H10 Mn N4 O7'
_chemical_formula_sum            'C17 H10 Mn N4 O7'
_chemical_formula_weight         437.23
_chemical_name_systematic
;
catena-Poly[[2,2'-bipyridine-\k^2^N,N')manganese(II)]-\m-3,5-
dinitro-2-oxidobenzoato-\k^4^O,O':O',O^2^]
;
_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                 102.616(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.8952(4)
_cell_length_b                   23.8304(12)
_cell_length_c                   8.5796(4)
_cell_measurement_reflns_used    3252
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.01
_cell_measurement_theta_min      2.35
_cell_volume                     1774.76(15)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II 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  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            11040
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.71
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.795
_exptl_absorpt_correction_T_max  0.9247
_exptl_absorpt_correction_T_min  0.8260
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.382
_refine_diff_density_min         -0.285
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4050
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0467P)^2^+0.4483P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.0969
_reflns_number_gt                3077
_reflns_number_total             4050
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz2117.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2212674
_cod_database_fobs_code          2212674