<i>catena</i>-Poly[[[di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(acetato-κ^2^<i>O</i>,<i>O</i>')manganese(II)]]-di-μ-4,4'-bipyridine-κ^4^<i>N</i>:<i>N</i>'] monohydrate]
Wang, Guan-Hua; Li, Zhi-Gang; Xu, Jing-Wei; Hu, Ning-Hai; Acta Crystallographica Section E 63 (2007) m289–m291; doi:10.1107/S1600536806054377

data_2211738
_publ_section_title
;<i>catena</i>-Poly[[[di-\m-acetato-\k^4^<i>O</i>:<i>O</i>'-bis[(acetato-\k^2^<i>O</i>,<i>O</i>')manganese(II)]]-di-\m-4,4'-bipyridine-\k^4^<i>N</i>:<i>N</i>']
 monohydrate]
;
_journal_coeditor_code           BI2121
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m289
_journal_page_last               m291
_journal_paper_doi               10.1107/S1600536806054377
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Mn2 (C2 H3 O2)4 (C10 H8 N2)2], H2 O'
_chemical_formula_moiety         'C28 H28 Mn2 N4 O8, H2 O'
_chemical_formula_sum            'C28 H30 Mn2 N4 O9'
_chemical_formula_weight         676.44
_chemical_name_systematic
;
catena-Poly[[[di-\m-acetato-\k^4^O:O'-bis[(acetato-\k^2^O,O')manganese(II)]]-
di-\m-4,4'-bipyridine-\k^4^N:N'] monohydrate]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 92.071(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.385(4)
_cell_length_b                   11.664(4)
_cell_length_c                   19.470(6)
_cell_measurement_reflns_used    2654
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.03
_cell_measurement_theta_min      2.52
_cell_volume                     3037.7(17)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker,2001)'
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0275
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8397
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         2.09
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.889
_exptl_absorpt_correction_T_max  0.9187
_exptl_absorpt_correction_T_min  0.7114
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.479
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.281
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     197
_refine_ls_number_reflns         2970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0410
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0637P)^2^+1.7367P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1074
_refine_ls_wR_factor_ref         0.1179
_reflns_number_gt                2304
_reflns_number_total             2970
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2121.cif
_cod_data_source_block           I
_cod_original_cell_volume        3037.6(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2211738
_cod_database_fobs_code          2211738