<i>catena</i>-Poly[[[tetrakis(cyanido-κ<i>C</i>)tungstate(IV)]-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-bis[diaqua(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-cyanido-κ^4^<i>N</i>:<i>C</i>] hexahydrate]
Ozaki, Noriaki; Yamada, Ryo; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Acta Crystallographica Section E 67 (2011) m702–m703; doi:10.1107/S1600536811012451

data_2230496
_publ_section_title
;
 <i>catena</i>-Poly[[[tetrakis(cyanido-\k<i>C</i>)tungstate(IV)]-di-\m-cyanido-\k^4^<i>C</i>:<i>N</i>-bis[diaqua(2,2'-bipyridyl-\k^2^<i>N</i>,<i>N</i>')manganese(II)]-di-\m-cyanido-\k^4^<i>N</i>:<i>C</i>]
 hexahydrate]
;
_journal_coeditor_code           TK2734
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m702
_journal_page_last               m703
_journal_paper_doi               10.1107/S1600536811012451
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Mn2 W (C N)8 (C10 H8 N2)2 (H2 O)4], 6H2 O'
_chemical_formula_moiety         'C28 H34 Mn2 N12 O10 W'
_chemical_formula_sum            'C28 H34 Mn2 N12 O10 W'
_chemical_formula_weight         992.40
_chemical_name_systematic
;
<i>catena</i>-Poly[[[tetrakis(cyanido-\k<i>C</i>)tungstate(IV)]-di-\m-cyanido-
\k^4^<i>C</i>:<i>N</i>-bis[diaqua(2,2'-bipyridyl-
\k^2^<i>N</i>,<i>N</i>')manganese(II)]-di-\m-cyanido-\k^4^<i>N</i>:<i>C</i>]
hexahydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 99.2130(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6673(3)
_cell_length_b                   15.5511(4)
_cell_length_c                   21.4339(7)
_cell_measurement_reflns_used    28294
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3838.79(19)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 2007)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 2007)'
_computing_data_reduction
;
CrystalStructure (Molecular Structure Corporation & Rigaku, 2007)
;
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997) and VESTA (Momma & Izumi, 2006)
;
_computing_publication_material
;
CrystalStructure (Molecular Structure Corporation & Rigaku, 2007)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            33108
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    3.704
_exptl_absorpt_correction_T_max  0.9296
_exptl_absorpt_correction_T_min  0.1353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1960
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.465
_refine_diff_density_min         -1.924
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     533
_refine_ls_number_reflns         8606
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0358
_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^)+(0.0278P)^2^+5.0172P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0786
_reflns_number_gt                7342
_reflns_number_total             8606
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2734.cif
_cod_data_source_block           I
_cod_original_cell_volume        3838.78(18)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_database_code               2230496
_cod_database_fobs_code          2230496