Bis(azido-κ<i>N</i>)bis[4-(dimethylamino)pyridine-κ<i>N</i>]zinc
Guenifa, Fatiha; Hadjadj, Nasreddine; Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine; Acta Crystallographica Section E 69 (2013) m169–; doi:10.1107/S1600536813004686

data_2237579
_publ_section_title
;
 Bis(azido-\k<i>N</i>)bis[4-(dimethylamino)pyridine-\k<i>N</i>]zinc
;
_journal_coeditor_code           XU5676
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m169
_journal_paper_doi               10.1107/S1600536813004686
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Zn (N3)2 (C7 H10 N2)2]'
_chemical_formula_moiety         'C14 H20 N10 Zn'
_chemical_formula_structural     'C14 H20 N10 Zn'
_chemical_formula_sum            'C14 H20 N10 Zn'
_chemical_formula_weight         393.79
_chemical_name_systematic
;
Bis(azido-\k<i>N</i>)bis[4-(dimethylamino)pyridine-\k<i>N</i>]zinc
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.158(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.819(5)
_cell_length_b                   9.610(5)
_cell_length_c                   14.555(5)
_cell_measurement_reflns_used    4302
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.77
_cell_measurement_theta_min      2.65
_cell_volume                     1827.5(13)
_computing_cell_refinement
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection
'<i>KappaCCD Reference Manual</i> (Nonius, 1998)'
_computing_data_reduction
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material
;
WinGX (Farrugia, 2012), Mercury (Macrae <i>et al.</i>, 2006) and
POVRay
(Persistence of Vision Team, 2004)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>, 2003)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       \f
_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  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0196
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15768
_diffrn_reflns_theta_full        27.77
_diffrn_reflns_theta_max         27.77
_diffrn_reflns_theta_min         2.65
_exptl_absorpt_coefficient_mu    1.364
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' colourless'
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       ' prism'
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.306
_refine_diff_density_min         -0.445
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         4302
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.033
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0512P)^2^+0.5630P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.0977
_reflns_number_gt                3323
_reflns_number_total             4302
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5676.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2237579
_cod_database_fobs_code          2237579