<i>catena</i>-Poly[[bis(4-chloromethylpyridine-κ<i>N</i>)cobalt(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:κ^2^<i>N</i>^5^]
Pei, Hong-Xia; Sun, Yu-Xi; Lu, She-Ming; Li, Jian-Min; Wu, Xin-Tao; Du, Wen-Xin; Acta Crystallographica Section E 61 (2005) m2109–m2111; doi:10.1107/S1600536805027662

data_2206849
_publ_section_title
<i>catena</i>-Poly[[bis(4-chloromethylpyridine-\k<i>N</i>)cobalt(II)]-di-\m-dicyanamido-\k^2^<i>N</i>^1^:\k^2^<i>N</i>^5^]
_journal_coeditor_code           BH6025
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2109
_journal_page_last               m2111
_journal_paper_doi               10.1107/S1600536805027662
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Co (C2 N3) (C6 H6 Cl N)2]'
_chemical_formula_moiety         'C16 H12 Cl2 Co N8'
_chemical_formula_sum            'C16 H12 Cl2 Co N8'
_chemical_formula_weight         446.17
_chemical_name_systematic
;
catena-Poly[[bis(4-chloromethylpyridine-\kN)cobalt(II)]-di-\m-
dicyanamido-\kN^1^:\kN^5^]
;
_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           SHELXL97
_cell_angle_alpha                104.444(2)
_cell_angle_beta                 96.971(2)
_cell_angle_gamma                102.618(2)
_cell_formula_units_Z            1
_cell_length_a                   7.2910(9)
_cell_length_b                   7.4810(9)
_cell_length_c                   9.0070(13)
_cell_measurement_reflns_used    668
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.13
_cell_measurement_theta_min      2.32
_cell_volume                     456.15(10)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2002)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEX 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  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0487
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2408
_diffrn_reflns_theta_full        25.15
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         2.38
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.253
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.805
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             225
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.485
_refine_diff_density_min         -0.776
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         1601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0683
_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^)+(0.0336P)^2^+2.6609P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1434
_refine_ls_wR_factor_ref         0.1599
_reflns_number_gt                1368
_reflns_number_total             1601
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh6025.cif
_cod_data_source_block           I
_cod_database_code               2206849
_cod_database_fobs_code          2206849