<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)nickel(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^-[bis(pyridine-κ<i>N</i>)nickel(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^]
Song, Wei-Chao; Zhang, Ming-Jian; Tao, Ying; Li, Jian-Rong; Acta Crystallographica Section E 63 (2007) m3062–m3062; doi:10.1107/S1600536807058485

data_2216760
_publ_section_title
<i>catena</i>-Poly[[bis(pyridine-\k<i>N</i>)nickel(II)]-di-\m-azido-\k^4^<i>N</i>^1^:<i>N</i>^3^-[bis(pyridine-\k<i>N</i>)nickel(II)]-di-\m-azido-\k^4^<i>N</i>^1^:<i>N</i>^1^]
_journal_coeditor_code           SI2051
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3062
_journal_page_last               m3062
_journal_paper_doi               10.1107/S1600536807058485
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni2 (N3)4 (C5 H5 N)4]'
_chemical_formula_moiety         'C10 H10 N8 Ni'
_chemical_formula_sum            'C10 H10 N8 Ni'
_chemical_formula_weight         300.97
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(pyridine-\kN)nickel(II)]-di-\m-azido-\k^4^N^1^:N^3^-
[bis(pyridine-\kN)nickel(II)]-di-\m-azido-\k^4^N^1^:N^1^]
;
_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
_cell_angle_alpha                84.66(3)
_cell_angle_beta                 67.17(3)
_cell_angle_gamma                65.36(3)
_cell_formula_units_Z            2
_cell_length_a                   8.1354(16)
_cell_length_b                   9.4770(19)
_cell_length_c                   10.094(2)
_cell_measurement_reflns_used    6054
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.63
_cell_measurement_theta_min      2.90
_cell_volume                     649.8(3)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \w scan'
_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  0.0374
_diffrn_reflns_av_sigmaI/netI    0.0465
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_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            6061
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.99
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.492
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9131
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.538
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             308
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.663
_refine_diff_density_min         -0.434
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         2532
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0605
_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^)+(0.0999P)^2^+0.3477P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1563
_refine_ls_wR_factor_ref         0.1636
_reflns_number_gt                2127
_reflns_number_total             2532
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            si2051.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2216760
_cod_database_fobs_code          2216760