<i>catena</i>-Poly[[[bis(2,2'-bipyridine)manganese(II)]-μ~4~-3,3'-sulfanediyldipropionato] bis(perchlorate)]
Yong, Li; Acta Crystallographica Section E 66 (2010) m380–; doi:10.1107/S1600536810008123

data_2225531
_publ_section_title
;
 <i>catena</i>-Poly[[[bis(2,2'-bipyridine)manganese(II)]-\m~4~-3,3'-sulfanediyldipropionato]
 bis(perchlorate)]
;
_journal_coeditor_code           FI2094
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m380
_journal_paper_doi               10.1107/S1600536810008123
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Mn2 (C6 H8 O4 S) (C10 H8 N2)4] (Cl O4)2'
_chemical_formula_moiety         'C46 H40 Mn2 N8 O4 S 2+, 2(Cl O4 -)'
_chemical_formula_sum            'C46 H40 Cl2 Mn2 N8 O12 S'
_chemical_formula_weight         1109.70
_chemical_name_systematic
;
<i>catena</i>-Poly[[[bis[bis(2,2'-bipyridine)manganese(II)]-\m~4~-3,3'-
sulfanediyldipropionato] bis(perchlorate)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                102.611(2)
_cell_angle_beta                 93.213(3)
_cell_angle_gamma                93.556(3)
_cell_formula_units_Z            2
_cell_length_a                   12.031(2)
_cell_length_b                   13.550(2)
_cell_length_c                   15.653(3)
_cell_measurement_reflns_used    4396
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.85
_cell_measurement_theta_min      2.49
_cell_volume                     2479.0(7)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and local programs'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.021
_diffrn_reflns_av_sigmaI/netI    0.047
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12678
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    0.728
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1136
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.534
_refine_diff_density_min         -0.374
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         8690
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.074
_refine_ls_R_factor_gt           0.043
_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^)+(0.0476P)^2^+1.3954P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.097
_refine_ls_wR_factor_ref         0.116
_reflns_number_gt                5935
_reflns_number_total             8690
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fi2094.cif
_cod_data_source_block           I
_cod_original_cell_volume        2479.2(7)
_cod_database_code               2225531
_cod_database_fobs_code          2225531