<i>catena</i>-Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^] ethanol disolvate]
Nishimura, Yuji; Himegi, Akiko; Fuyuhiro, Akira; Hayami, Shinya; Kawata, Satoshi; Acta Crystallographica Section E 69 (2013) m119–m120; doi:10.1107/S1600536813001438

data_2237342
_publ_section_title
;
 <i>catena</i>-Poly[[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')manganese(II)]-\m-(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)-\k^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^]
 ethanol disolvate]
;
_journal_coeditor_code           IS5235
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m119
_journal_page_last               m120
_journal_paper_doi               10.1107/S1600536813001438
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Mn (C6 Cl2 O4) (C10 H8 N2)], 2C2 H6 O'
_chemical_formula_moiety         'C16 H8 Cl2 Mn N2 O4, 2(C2 H6 O)'
_chemical_formula_sum            'C20 H20 Cl2 Mn N2 O6'
_chemical_formula_weight         510.22
_chemical_name_systematic
'<i>catena</i>-Poly[[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')manganese(II)]-\m-(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)-\k^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^] ethanol disolvate]'
_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                 97.665(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3130(15)
_cell_length_b                   20.866(4)
_cell_length_c                   12.513(2)
_cell_measurement_reflns_used    6299
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      3.15
_cell_volume                     2151.1(7)
_computing_cell_refinement       'CrystalClear (Rigaku, 2008)'
_computing_data_collection       'CrystalClear (Rigaku, 2008)'
_computing_data_reduction        'CrystalClear (Rigaku, 2008)'
_computing_molecular_graphics    'CrystalStructure (Rigaku, 2010)'
_computing_publication_material  'CrystalStructure (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution
'<i>Il Milione</i> (Burla <i>et al.</i>, 2007)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn724'
_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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0181
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24503
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.15
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.902
_exptl_absorpt_correction_T_max  0.9563
_exptl_absorpt_correction_T_min  0.897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Rigaku, 1998)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.993
_refine_diff_density_min         -0.566
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4903
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0370
_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^)+(0.0369P)^2^+2.5077P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0893
_reflns_number_gt                4526
_reflns_number_total             4903
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            is5235.cif
_cod_data_source_block           I
_cod_original_cell_volume        2151.2(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2237342
_cod_database_fobs_code          2237342