Unsupported Lewis Pairs with Stable and Frustrated Pt-Pb Dative Bonds
Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Krzysztof Radacki; Chem.Commun. 48 (2012) 10410–; doi:10.1039/c2cc35777a

data_7108477
_publ_section_title
;
 Unsupported Lewis Pairs with Stable and Frustrated Pt-Pb Dative Bonds
;
_journal_name_full               Chem.Commun.
_journal_page_first              10410
_journal_paper_doi               10.1039/c2cc35777a
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C72 H132 Cl2 P4 Pb Pt2'
_chemical_formula_sum            'C72 H132 Cl2 P4 Pb Pt2'
_chemical_formula_weight         1789.93
_chemical_name_common
;

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;
_chemical_name_systematic
;

?

;
_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                76.586(7)
_cell_angle_beta                 85.326(7)
_cell_angle_gamma                78.035(8)
_cell_formula_units_Z            4
_cell_length_a                   14.050(3)
_cell_length_b                   21.093(4)
_cell_length_c                   25.981(4)
_cell_measurement_reflns_used    7935
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.23
_cell_volume                     7322(2)
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_sigmaI/netI    0.0349
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            311318
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.43
_diffrn_reflns_theta_min         1.01
_exptl_absorpt_coefficient_mu    6.304
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.624
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             3584
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.330
_refine_diff_density_min         -1.416
_refine_diff_density_rms         0.131
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1514
_refine_ls_number_reflns         29727
_refine_ls_number_restraints     246
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0167P)^2^+22.8199P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0537
_refine_ls_wR_factor_ref         0.0589
_reflns_number_gt                23354
_reflns_number_total             29727
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc35777a.txt
_cod_data_source_block           '[(Pt)2(PbCl2)]'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7108477