<i>catena</i>-Poly[[[[2-(2-pyridyl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]copper(II)]-μ-<small>L</small>-methioninato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>'] perchlorate]
Lu, Yan-Mei; Le, Xue-Yi; Acta Crystallographica Section E 67 (2011) m642–m643; doi:10.1107/S1600536811014000

data_2229972
_publ_section_title
;
 <i>catena</i>-Poly[[[[2-(2-pyridyl-\k<i>N</i>)-1<i>H</i>-benzimidazole-\k<i>N</i>^3^]copper(II)]-\m-<small>L</small>-methioninato-\k^3^<i>N</i>,<i>O</i>:<i>O</i>']
 perchlorate]
;
_journal_coeditor_code           FF2004
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m642
_journal_page_last               m643
_journal_paper_doi               10.1107/S1600536811014000
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C5 H10 N O2 S) (C12 H9 N3)] Cl O4'
_chemical_formula_moiety         'C17 H19 Cu N4 O2 S +, Cl O4 -'
_chemical_formula_sum            'C17 H19 Cl Cu N4 O6 S'
_chemical_formula_weight         506.41
_chemical_name_systematic
;
<i>catena</i>-Poly[[[[2-(2-pyridyl-\k<i>N</i>)-1<i>H</i>-benzimidazole-
\k<i>N</i>^3^]copper(II)]-\m-L-methioninato-\k^3^<i>N</i>,<i>O</i>:<i>O</i>']
perchlorate]
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.9718(4)
_cell_length_b                   11.8902(6)
_cell_length_c                   24.7024(13)
_cell_measurement_reflns_used    5099
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.47
_cell_measurement_theta_min      2.38
_cell_volume                     2047.73(19)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2003)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0494
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            12781
_diffrn_reflns_theta_full        27.07
_diffrn_reflns_theta_max         27.07
_diffrn_reflns_theta_min         1.65
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.342
_exptl_absorpt_correction_T_max  0.8449
_exptl_absorpt_correction_T_min  0.5834
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.447
_refine_diff_density_min         -0.280
_refine_ls_abs_structure_details 'Flack (1983), 1874 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.001(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4464
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0418
_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^)+(0.0626P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1109
_reflns_number_gt                3557
_reflns_number_total             4464
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ff2004.cif
_cod_data_source_block           I
_cod_database_code               2229972
_cod_database_fobs_code          2229972