<i>catena</i>-Poly[[chloridonickel(II)]-di-μ-chlorido-[chloridonickel(II)]-μ-4,4'-methylenebis(3,5-dimethylpyrazole)-κ^2^<i>N</i>^2^:<i>N</i>^2'^]
Huang, Chun-Fang; Chen, Hua-Long; Acta Crystallographica Section E 63 (2007) m2356–m2357; doi:10.1107/S1600536807039384

data_2215128
_publ_section_title
<i>catena</i>-Poly[[chloridonickel(II)]-di-\m-chlorido-[chloridonickel(II)]-\m-4,4'-methylenebis(3,5-dimethylpyrazole)-\k^2^<i>N</i>^2^:<i>N</i>^2'^]
_journal_coeditor_code           HB2501
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2356
_journal_page_last               m2357
_journal_paper_doi               10.1107/S1600536807039384
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni Cl2 (C11 H16 N4)]'
_chemical_formula_moiety         'C11 H16 Cl2 N4 Ni'
_chemical_formula_sum            'C11 H16 Cl2 N4 Ni'
_chemical_formula_weight         333.89
_chemical_name_systematic
;
catena-Poly[[chloridonickel(II)]-di-\m-chlorido-[chloridonickel(II)]-\m-\
4,4'-methylenebis(3,5-dimethylpyrazole)-\k^2^N^2^:N^2'^]
;
_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                79.269(6)
_cell_angle_beta                 63.584(5)
_cell_angle_gamma                86.922(5)
_cell_formula_units_Z            2
_cell_length_a                   8.759(3)
_cell_length_b                   8.879(3)
_cell_length_c                   9.735(3)
_cell_measurement_reflns_used    3212
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      2.34
_cell_volume                     665.8(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'APEX2 (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker APEX II 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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0853
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3330
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.34
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.845
_exptl_absorpt_correction_T_max  0.769
_exptl_absorpt_correction_T_min  0.626
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             344
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.728
_refine_diff_density_min         -1.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     169
_refine_ls_number_reflns         2312
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0654
_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^)+(0.1397P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1861
_refine_ls_wR_factor_ref         0.2083
_reflns_number_gt                1534
_reflns_number_total             2312
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2501.cif
_cod_data_source_block           I
_cod_database_code               2215128
_cod_database_fobs_code          2215128