Aminofluoroalkoxide amido and boryloxo lead(ii) complexes.
Someşan, Adrian-Alexandru; Roisnel, Thierry; Dorcet, Vincent; Silvestru, Cristian; Sarazin, Yann; Dalton transactions (Cambridge, England : 2003) 48 (2019) 9944–9948; doi:10.1039/c9dt02110h

data_7700272
_publ_section_title
;
 Aminofluoroalkoxide amido and boryloxo lead(ii) complexes.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9944
_journal_page_last               9948
_journal_paper_doi               10.1039/c9dt02110h
_journal_volume                  48
_journal_year                    2019
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C120 H184 B4 O6 Pb4'
_chemical_formula_sum            'C120 H184 B4 O6 Pb4'
_chemical_formula_weight         2594.66
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2019-06-07 deposited with the CCDC.    2019-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.021(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.4703(4)
_cell_length_b                   17.3016(7)
_cell_length_c                   25.8438(8)
_cell_measurement_reflns_used    9901
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.4873
_cell_measurement_theta_min      2.4829
_cell_measurement_wavelength     0.71073
_cell_volume                     6019.4(4)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'SAINT (Bruker, 2014)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2016)'
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2019)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (G. Sheldrick, 2015)'
_diffrn_ambient_temperature      150
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1135
_diffrn_reflns_av_unetI/netI     0.0925
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            54935
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         27.519
_diffrn_reflns_theta_min         2.354
_diffrn_source_current           1.0
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    5.626
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_description       stick
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.442
_refine_diff_density_min         -2.976
_refine_diff_density_rms         0.205
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     625
_refine_ls_number_reflns         13672
_refine_ls_number_restraints     552
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0939
_refine_ls_R_factor_gt           0.0537
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0574P)^2^+13.8844P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1312
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9479
_reflns_number_total             13672
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt02110h2.cif
_cod_data_source_block           SAA59
_cod_depositor_comments
'Adding full bibliography for 7700269--7700272.cif.'
_cod_database_code               7700272
_shelx_res_checksum              44351