<i>catena</i>-Poly[[manganese(II)-μ-[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)hexane-1,6-diamine]] bis(perchlorate) acetone disolvate dihydrate]
Hwang, In-Chul; Ha, Kwang; Acta Crystallographica Section E 63 (2007) m2302–m2302; doi:10.1107/S1600536807038603

data_2215141
_publ_section_title
;<i>catena</i>-Poly[[manganese(II)-\m-[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis(2-pyridylmethyl)hexane-1,6-diamine]]
 bis(perchlorate) acetone disolvate dihydrate]
;
_journal_coeditor_code           HG2266
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2302
_journal_page_last               m2302
_journal_paper_doi               10.1107/S1600536807038603
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Mn (C30 H36 N6)] (Cl O4)2, 2C3 H6 O, 2H2 O'
_chemical_formula_moiety
'C30 H36 Mn N6 2+, 2(Cl O4 -), 2(C3 H6 O), 2(H2 O)'
_chemical_formula_sum            'C36 H52 Cl2 Mn N6 O12'
_chemical_formula_weight         886.68
_chemical_name_systematic
;
catena-Poly[[manganese(II)-\m-[N,N,N',N'-tetrakis(2-pyridylmethyl)hexane-
1,6-diamine]] diperchlorate acetone disolvate dihydrate]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 94.782(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.7266(16)
_cell_length_b                   14.5252(12)
_cell_length_c                   15.2375(13)
_cell_measurement_reflns_used    2085
_cell_measurement_temperature    243(2)
_cell_measurement_theta_max      20.981
_cell_measurement_theta_min      2.171
_cell_volume                     4130.3(6)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2003)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      243(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0556
_diffrn_reflns_av_sigmaI/netI    0.0843
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16555
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.516
_exptl_absorpt_correction_T_max  0.926
_exptl_absorpt_correction_T_min  0.707
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1860
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.864
_refine_diff_density_min         -0.489
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.920
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         4248
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.920
_refine_ls_R_factor_all          0.1312
_refine_ls_R_factor_gt           0.0729
_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^)+(0.132P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1991
_refine_ls_wR_factor_ref         0.2271
_reflns_number_gt                2171
_reflns_number_total             4248
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2266.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2215141
_cod_database_fobs_code          2215141