<i>catena</i>-Poly[[[2-(pyridin-2-yldisulfanyl)pyridine-κ^2^<i>N</i>,<i>S</i>]copper(I)]-μ~1,5~-dicyanamido]
Wu, Shixi; Jiang, Wei; Li, Fengsheng; Liu, Li; Acta Crystallographica Section E 67 (2011) m285–; doi:10.1107/S1600536811002728

data_2229309
_publ_section_title
;
 <i>catena</i>-Poly[[[2-(pyridin-2-yldisulfanyl)pyridine-\k^2^<i>N</i>,<i>S</i>]copper(I)]-\m~1,5~-dicyanamido]
;
_journal_coeditor_code           ZQ2085
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m285
_journal_paper_doi               10.1107/S1600536811002728
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C2 N3) (C10 H8 N2 S2)]'
_chemical_formula_moiety         'C12 H8 Cu N5 S2'
_chemical_formula_sum            'C12 H8 Cu N5 S2'
_chemical_formula_weight         349.92
_chemical_name_systematic
;
<i>catena</i>-Poly[[[2-(pyridin-2-yldisulfanyl)pyridine-
\k^2^<i>N</i>,<i>S</i>]copper(I)]-\m~1,5~-dicyanamido]
;
_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           'SHELXTL (Sheldrick, 2008)'
_cell_angle_alpha                84.19(3)
_cell_angle_beta                 80.63(3)
_cell_angle_gamma                70.93(3)
_cell_formula_units_Z            2
_cell_length_a                   7.6294(15)
_cell_length_b                   9.5964(19)
_cell_length_c                   10.202(2)
_cell_measurement_reflns_used    3088
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.91
_cell_measurement_theta_min      2.95
_cell_volume                     695.6(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_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 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       \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  0.0180
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6615
_diffrn_reflns_theta_full        26.03
_diffrn_reflns_theta_max         26.03
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.865
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.893
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             352
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.390
_refine_diff_density_min         -0.291
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2669
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0478P)^2^+0.0204P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0809
_reflns_number_gt                2301
_reflns_number_total             2669
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            zq2085.cif
_cod_data_source_block           I
_cod_original_cell_volume        695.6(2)
_cod_database_code               2229309
_cod_database_fobs_code          2229309