Di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^1^-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(thiocyanato-κ<i>N</i>)lead(II)]
Mohammadnezhad, Gholamhossein; Ghanbarpour, Ali Reza; Amini, Mostafa M.; Ng, Seik Weng; Acta Crystallographica Section E 66 (2010) m1120–; doi:10.1107/S1600536810032125

data_2227313
_publ_section_title
;
 Di-\m-azido-\k^4^<i>N</i>^1^:<i>N</i>^1^-bis[(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')(thiocyanato-\k<i>N</i>)lead(II)]
;
_journal_coeditor_code           CI5151
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1120
_journal_paper_doi               10.1107/S1600536810032125
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb2 (N3)2 (N C S)2 (C12 H8 N2)4]'
_chemical_formula_moiety         'C50 H32 N16 Pb2 S2'
_chemical_formula_sum            'C50 H32 N16 Pb2 S2'
_chemical_formula_weight         1335.42
_chemical_name_systematic
;
Di-\m-azido-\k^4^<i>N</i>^1^:<i>N</i>^1^-bis[(1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')(thiocyanato-\k<i>N</i>)lead(II)]
;
_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                89.9230(10)
_cell_angle_beta                 72.0800(10)
_cell_angle_gamma                65.2730(10)
_cell_formula_units_Z            1
_cell_length_a                   10.3412(6)
_cell_length_b                   10.8327(6)
_cell_length_c                   11.4178(6)
_cell_measurement_reflns_used    8054
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.3
_cell_volume                     1093.35(11)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEXII area-detector'
_diffrn_measurement_method       '\w scans'
_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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10523
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.90
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.846
_exptl_absorpt_correction_T_max  0.3857
_exptl_absorpt_correction_T_min  0.2444
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.034
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             642
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.232
_refine_diff_density_min         -1.375
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5002
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0214
_refine_ls_R_factor_gt           0.0198
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0410P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0612
_reflns_number_gt                4783
_reflns_number_total             5002
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci5151.cif
_cod_data_source_block           I
_cod_original_cell_volume        1093.35(10)
_cod_database_code               2227313
_cod_database_fobs_code          2227313