Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)] bis(perchlorate)
Xue-Li Niu; Jian-Min Dou; Chang-Wen Hu; Da-Cheng Li; Da-Qi Wang; Acta Crystallographica Section E 61 (2005) m2538–m2540; doi:10.1107/S1600536805034367

data_2207470
_publ_section_title
;Di-\m-acetato-\k^4^<i>O</i>:<i>O</i>'-bis[bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')manganese(II)]
 bis(perchlorate)
;
_journal_coeditor_code           CF6458
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2538
_journal_page_last               m2540
_journal_paper_doi               10.1107/S1600536805034367
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Mn2 (C2 H3 O2)2 (C10 H8 N2)4] (Cl O4)2'
_chemical_formula_moiety         'C44 H38 Mn2 N8 O4 2+, 2 Cl O4 -'
_chemical_formula_sum            'C44 H38 Cl2 Mn2 N8 O12'
_chemical_formula_weight         1051.60
_chemical_name_systematic
;
Di-\m-acetato-\k^4^O:O'-bis[bis(2,2'-bipyridine-\k^2^N,N')manganese(II)]
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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.135(4)
_cell_angle_beta                 73.553(4)
_cell_angle_gamma                67.874(4)
_cell_formula_units_Z            1
_cell_length_a                   10.436(3)
_cell_length_b                   10.542(3)
_cell_length_c                   11.756(4)
_cell_measurement_reflns_used    1539
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.690
_cell_measurement_theta_min      2.451
_cell_volume                     1141.9(6)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Siemens SMART 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  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0637
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6048
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.82
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.742
_exptl_absorpt_correction_T_max  0.8362
_exptl_absorpt_correction_T_min  0.7607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             538
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.404
_refine_diff_density_min         -0.348
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         3968
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0521
_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^)+(0.0676P)^2^+0.3213P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1201
_refine_ls_wR_factor_ref         0.1432
_reflns_number_gt                2533
_reflns_number_total             3968
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6458.cif
_cod_data_source_block           I
_cod_original_cell_volume        1141.8(6)
_cod_database_code               2207470
_cod_database_fobs_code          2207470