Bis(imino)carbazolate lead(II) fluoride and related halides.
Chapple, Peter M.; Hamdoun, Ghanem; Roisnel, Thierry; Carpentier, Jean-François; Oulyadi, Hassan; Sarazin, Yann; Dalton transactions (Cambridge, England : 2003) 50 (2021) 9021–9025; doi:10.1039/d1dt01615f

data_7707573
_publ_section_title
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 Bis(imino)carbazolate lead(II) fluoride and related halides.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9021
_journal_page_last               9025
_journal_paper_doi               10.1039/d1dt01615f
_journal_volume                  50
_journal_year                    2021
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C52 H76 N4 Pb Si2'
_chemical_formula_sum            'C52 H76 N4 Pb Si2'
_chemical_formula_weight         1020.53
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-04-26 deposited with the CCDC.	2021-06-04 downloaded from the CCDC.
;
_cell_angle_alpha                69.747(2)
_cell_angle_beta                 78.014(2)
_cell_angle_gamma                76.292(2)
_cell_formula_units_Z            2
_cell_length_a                   12.9223(7)
_cell_length_b                   13.4651(7)
_cell_length_c                   16.5207(10)
_cell_measurement_reflns_used    9930
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4875
_cell_measurement_theta_min      2.2454
_cell_measurement_wavelength     0.710730
_cell_volume                     2595.0(3)
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2014)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2014)'
_computing_molecular_graphics
;
   'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2020)'
;
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2020)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018_2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'APEXII Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_orient_matrix_UB_11      -0.0578022
_diffrn_orient_matrix_UB_12      0.0621155
_diffrn_orient_matrix_UB_13      0.0062767
_diffrn_orient_matrix_UB_21      0.0072081
_diffrn_orient_matrix_UB_22      -0.0212888
_diffrn_orient_matrix_UB_23      0.0631517
_diffrn_orient_matrix_UB_31      0.0554501
_diffrn_orient_matrix_UB_32      0.0465227
_diffrn_orient_matrix_UB_33      -0.0146904
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0408
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            43791
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.556
_diffrn_reflns_theta_min         2.409
_exptl_absorpt_coefficient_mu    3.333
_exptl_absorpt_correction_T_max  0.648
_exptl_absorpt_correction_T_min  0.414
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_description       plate
_exptl_crystal_F_000             1052
_exptl_crystal_size_max          0.580
_exptl_crystal_size_mid          0.440
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.831
_refine_diff_density_min         -1.026
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         11927
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0233
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0188P)^2^+0.9198P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0485
_refine_ls_wR_factor_ref         0.0507
_reflns_number_gt                10813
_reflns_number_total             11927
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d1dt01615f2.cif
_cod_data_source_block           4
_cod_depositor_comments
'Adding full bibliography for 7707569--7707575.cif.'
_cod_database_code               7707573
_shelx_res_checksum              40507