Poly[μ-azido-κ^2^<i>N</i>^1^:<i>N</i>^3^-μ-2-(2-pyridylmethylamino)ethanesulfonato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>'-copper(II)]
Jun-Xia Li; Yi-Min Jiang; Jian-Ge Wang; Acta Crystallographica Section E 63 (2007) m213–m215; doi:10.1107/S1600536806053475

data_2211911
_publ_section_title
Poly[\m-azido-\k^2^<i>N</i>^1^:<i>N</i>^3^-\m-2-(2-pyridylmethylamino)ethanesulfonato-\k^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>'-copper(II)]
_journal_coeditor_code           NG2178
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m213
_journal_page_last               m215
_journal_paper_doi               10.1107/S1600536806053475
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cu (C8 H11 N2 O3 S) (N3)]'
_chemical_formula_moiety         'C8 H11 Cu N5 O3 S'
_chemical_formula_sum            'C8 H11 Cu N5 O3 S'
_chemical_formula_weight         320.81
_chemical_name_systematic
;
Poly[\m-azido-\k^4^N^1^:N^3^-\m-2-(2-pyridylmethylamino)ethanesulfonato-
\k^4^N,N',O:O'-copper(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 91.2390(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4260(13)
_cell_length_b                   11.2920(13)
_cell_length_c                   9.3237(10)
_cell_measurement_reflns_used    3069
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.28
_cell_measurement_theta_min      2.54
_cell_volume                     1202.7(2)
_computing_cell_refinement       APEX2
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2004)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II 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  0.0296
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10287
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.54
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.997
_exptl_absorpt_correction_T_max  0.8058
_exptl_absorpt_correction_T_min  0.5603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            dark-blue
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.377
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     167
_refine_ls_number_reflns         2748
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0297
_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^)+(0.04P)^2^+0.3558P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                2192
_reflns_number_total             2748
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2178.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2211911
_cod_database_fobs_code          2211911