Poly[[tetrakis(μ-1,2-di-4-pyridylethylene-κ^2^<i>N</i>:<i>N</i>')tetrakis(selenocyanato-κ<i>N</i>)dimanganese(II)] 1,2-di-4-pyridylethylene disolvate]
Wöhlert, Susanne; Jess, Inke; Näther, Christian; Acta Crystallographica Section E 67 (2011) m693–m694; doi:10.1107/S1600536811016199

data_2230246
_publ_section_title
;
 Poly[[tetrakis(\m-1,2-di-4-pyridylethylene-\k^2^<i>N</i>:<i>N</i>')tetrakis(selenocyanato-\k<i>N</i>)dimanganese(II)]
 1,2-di-4-pyridylethylene disolvate]
;
_journal_coeditor_code           BT5535
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m693
_journal_page_last               m694
_journal_paper_doi               10.1107/S1600536811016199
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Mn2 (N C Se)4 (C12 H10 N2)4], 2C12 H10 N2'
_chemical_formula_moiety         'C52 H40 Mn2 N12 Se4, 2(C12 H10 N2)'
_chemical_formula_sum            'C76 H60 Mn2 N16 Se4'
_chemical_formula_weight         1623.12
_chemical_name_systematic
;
Poly[[tetrakis(\m-1,2-di-4-pyridylethylene-
\k^2^<i>N</i>:<i>N</i>')tetrakis(selenocyanato-\k<i>N</i>)dimanganese(II)]
1,2-di-4-pyridylethylene disolvate]
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 91.211(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3102(3)
_cell_length_b                   13.9933(2)
_cell_length_c                   36.0614(6)
_cell_measurement_reflns_used    68086
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.18
_cell_measurement_theta_min      1.13
_cell_volume                     7219.6(2)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2008)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2008)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2008)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2011)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Stoe IPDS-2'
_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  0.0544
_diffrn_reflns_av_sigmaI/netI    0.0317
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            68086
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         1.13
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.421
_exptl_absorpt_correction_T_max  0.853
_exptl_absorpt_correction_T_min  0.689
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE and X-RED32; Stoe & Cie, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3256
_exptl_crystal_size_max          0.1848
_exptl_crystal_size_mid          0.1273
_exptl_crystal_size_min          0.0751
_refine_diff_density_max         0.794
_refine_diff_density_min         -0.775
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     883
_refine_ls_number_reflns         12826
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0556
_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^)+(0.0431P)^2^+9.7881P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1241
_reflns_number_gt                10467
_reflns_number_total             12826
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5535.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2230246
_cod_database_fobs_code          2230246