Poly[(μ~3~-biphenyl-3,4'-dicarboxylato-κ^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4'^,<i>O</i>^4''^)(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^7^,<i>N</i>^8^)manganese(II)]
Wang, Fu-Ming; Acta Crystallographica Section E 66 (2010) m1677–; doi:10.1107/S1600536810045587

data_2228430
_publ_section_title
;
 Poly[(\m~3~-biphenyl-3,4'-dicarboxylato-\k^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4'^,<i>O</i>^4''^)(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-\k^2^<i>N</i>^7^,<i>N</i>^8^)manganese(II)]
;
_journal_coeditor_code           JH2224
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1677
_journal_paper_doi               10.1107/S1600536810045587
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Mn (C14 H8 O4) (C13 H8 N4)]'
_chemical_formula_moiety         'C27 H16 Mn N4 O4'
_chemical_formula_sum            'C27 H16 Mn N4 O4'
_chemical_formula_weight         515.38
_chemical_name_systematic
;
Poly[(\m~3~-biphenyl-3,4'-dicarboxylato-
\k^4^<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4'^,<i>O</i>^4''^)(1<i>H</i>-
imidazo[4,5-<i>f</i>][1,10]phenanthroline-
\k^2^<i>N</i>^7^,<i>N</i>^8^)manganese(II)]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 94.307(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0634(13)
_cell_length_b                   11.705(2)
_cell_length_c                   22.807(4)
_cell_measurement_reflns_used    1052
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.58
_cell_measurement_theta_min      2.50
_cell_volume                     2146.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD 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  0.0792
_diffrn_reflns_av_sigmaI/netI    0.0928
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            12211
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.50
_exptl_absorpt_coefficient_mu    0.661
_exptl_absorpt_correction_T_max  0.9487
_exptl_absorpt_correction_T_min  0.9152
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1052
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.267
_refine_diff_density_min         -0.255
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         3997
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1147
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0260P)^2^+0.6105P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.1065
_reflns_number_gt                2211
_reflns_number_total             3997
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            jh2224.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2228430
_cod_database_fobs_code          2228430