<i>catena</i>-Poly[[(8-aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-[(8-aminoquinoline-κ^2^<i>N</i>,<i>N</i>')cadmium]-di-μ-chlorido]
Xu, Heng; Guo, Chang; Acta Crystallographica Section E 68 (2012) m3–; doi:10.1107/S1600536811051373

data_2233313
_publ_section_title
;
 <i>catena</i>-Poly[[(8-aminoquinoline-\k^2^<i>N</i>,<i>N</i>')cadmium]-di-\m-thiocyanato-\k^2^<i>N</i>:<i>S</i>;\k^2^<i>S</i>:<i>N</i>-[(8-aminoquinoline-\k^2^<i>N</i>,<i>N</i>')cadmium]-di-\m-chlorido]
;
_journal_coeditor_code           WM2567
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3
_journal_paper_doi               10.1107/S1600536811051373
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cd Cl (N C S) (C9 H8 N2)]'
_chemical_formula_moiety         'C10 H8 Cd Cl N3 S'
_chemical_formula_sum            'C10 H8 Cd Cl N3 S'
_chemical_formula_weight         350.10
_chemical_name_systematic
;
<i>catena</i>-Poly[[(8-aminoquinoline-\k^2^<i>N</i>,<i>N</i>')cadmium]-
di-\m-thiocyanato-\k^2^<i>N</i>:<i>S</i>;\k^2^<i>S</i>:<i>N</i>-[(8-
aminoquinoline-\k^2^<i>N</i>,<i>N</i>')cadmium]-di-\m-chlorido]
;
_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                106.649(7)
_cell_angle_beta                 98.047(7)
_cell_angle_gamma                112.561(5)
_cell_formula_units_Z            2
_cell_length_a                   7.4965(6)
_cell_length_b                   8.6245(7)
_cell_length_c                   10.5247(12)
_cell_measurement_reflns_used    5150
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.11
_cell_volume                     577.53(11)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5150
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.11
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.275
_exptl_absorpt_correction_T_max  0.6849
_exptl_absorpt_correction_T_min  0.6345
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             340
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.501
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         2104
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0229
_refine_ls_R_factor_gt           0.0209
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0243P)^2^+0.2713P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0497
_refine_ls_wR_factor_ref         0.0509
_reflns_number_gt                1961
_reflns_number_total             2104
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2567.cif
_cod_data_source_block           I
_cod_original_cell_volume        577.53(9)
_cod_database_code               2233313
_cod_database_fobs_code          2233313