Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum Complexes.
Muessig, Jonas H.; Prieschl, Dominic; Deißenberger, Andrea; Dewhurst, Rian D.; Dietz, Maximilian; Jiménez-Halla, J Oscar C; Trumpp, Alexandra; Wang, Sunewang R.; Brunecker, Carina; Haefner, Alena; Gärtner, Annalena; Thiess, Torsten; Böhnke, Julian; Radacki, Krzysztof; Bertermann, Rüdiger; Marder, Todd B.; Braunschweig, Holger; Journal of the American Chemical Society 140 (2018) 13056–13063; doi:10.1021/jacs.8b08428

data_4133075
_publ_section_title
;
 Reactivity of Tetrahalo- and Difluorodiboranes(4) toward Lewis Basic
 Platinum(0): Bis(boryl), Borylborato, and Doubly Boryl-Bridged Platinum
 Complexes.
;
_journal_issue                   40
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13056
_journal_page_last               13063
_journal_paper_doi               10.1021/jacs.8b08428
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C54 H106 B2 Cl9 N P2 Pt'
_chemical_formula_sum            'C54 H106 B2 Cl9 N P2 Pt'
_chemical_formula_weight         1367.09
_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   mixed
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_atom_sites_solution_secondary   difmap
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_cell_angle_gamma                102.375(19)
_cell_formula_units_Z            2
_cell_length_a                   10.069(5)
_cell_length_b                   13.923(3)
_cell_length_c                   23.605(4)
_cell_measurement_reflns_used    9986
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      2.28
_cell_volume                     3150.0(18)
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_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CMOS area detector (Photon 100)'
_diffrn_detector_area_resol_mean 10.24
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0655
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_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            74152
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.000
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_diffrn_reflns_theta_min         2.147
_diffrn_source                   'microfocus sealed tube (Incoatec ImS)'
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_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6537
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_description       plate
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_exptl_crystal_size_mid          0.095
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.900
_refine_diff_density_min         -2.003
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         12898
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0299P)^2^+15.6022P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.1013
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10462
_reflns_number_total             12898
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b08428_si_004.cif
_cod_data_source_block           4
_cod_original_cell_volume        3150.1(17)
_cod_database_code               4133075
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.765
_shelx_estimated_absorpt_t_max   0.948
_shelx_res_checksum              77363
_shelx_hkl_checksum              96078