Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.
Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger; Dalton transactions (Cambridge, England : 2003) 50 (2021) 3506–3515; doi:10.1039/d0dt03855e

data_7706368
_publ_section_title
;
 Synthesis and characterisation of boranediyl- and diboranediyl-bridged
 diplatinum A-frame complexes.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3506
_journal_page_last               3515
_journal_paper_doi               10.1039/d0dt03855e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C12 H32 B Cl4 I3 P4 Pt2'
_chemical_formula_sum            'C12 H32 B Cl4 I3 P4 Pt2'
_chemical_formula_weight         1223.74
_chemical_name_systematic        4-I(I)
_chemical_properties_physical
'Air-sensitive,Moisture-sensitive,Heat-sensitive,Light-sensitive,slowly decomposes in solution'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-11-06 deposited with the CCDC.	2021-01-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   26.2447(16)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.23
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_cell_volume                     6142.1(6)
_computing_cell_refinement       'Saint+ ver. V8.37A (Bruker AXS)'
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_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CMOS area detector (Photon II)'
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
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_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        26.000
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_diffrn_source                   'microfocus sealed tube (Incoatec ImS)'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SadAbs 2016/2 (Bruker AXS)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.647
_exptl_crystal_description       block
_exptl_crystal_F_000             4416
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CH2Cl2/pentane'
_exptl_crystal_size_max          0.364
_exptl_crystal_size_mid          0.191
_exptl_crystal_size_min          0.163
_refine_diff_density_max         1.104
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+24.1508P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0435
_refine_ls_wR_factor_ref         0.0451
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10810
_reflns_number_total             12098
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt03855e2.cif
_cod_data_source_block           test_a_CCDC5
_cod_depositor_comments
'Adding full bibliography for 7706356--7706368.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7706368
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              44320