Selective B-B bond activation in an unsymmetrical diborane(4) by [(Me3P)4Rh-X] (X = Me, OtBu): a switch of mechanism?
Borner, C.; Brandhorst, K.; Kleeberg, C.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 8600–8604; doi:10.1039/c5dt00618j

data_7034815
_publ_section_title
;
 Selective B-B bond activation in an unsymmetrical diborane(4) by
 [(Me3P)4Rh-X] (X = Me, OtBu): a switch of mechanism?
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8600
_journal_page_last               8604
_journal_paper_doi               10.1039/c5dt00618j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C29 H45 B N2 P3 Rh, C7 H8, 1/2 (C5 H12)'
_chemical_formula_sum            'C38.5 H59 B N2 P3 Rh'
_chemical_formula_weight         756.50
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
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_audit_update_record
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2014-12-04 deposited with the CCDC.
2015-03-31 downloaded from the CCDC.
;
_cell_angle_alpha                72.3240(10)
_cell_angle_beta                 80.4470(10)
_cell_angle_gamma                67.9810(10)
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_cell_length_a                   9.91850(10)
_cell_length_b                   11.7946(2)
_cell_length_c                   18.9805(2)
_cell_measurement_reflns_used    57983
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.55
_cell_measurement_theta_min      2.80
_cell_volume                     1957.87(5)
_computing_cell_refinement
;
 CrysAlisPro, Agilent Technologies,
 Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
 (compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
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 CrysAlisPro, Agilent Technologies,
 Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
 (compiled Feb  1 2013,16:14:44)
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_computing_data_reduction
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 CrysAlisPro, Agilent Technologies,
 Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
 (compiled Feb  1 2013,16:14:44)
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_computing_molecular_graphics
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 Diamond 3.2i, K. Brandenburg, Crystal Impact GbR, Bonn, Germany.
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_computing_publication_material
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 WinGX v2014.1 (L. J. Farrugia, J. Appl. Cryst. 2012, 45, 849-854.)
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_computing_structure_refinement
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 SHELXL-2014/7 (G. M. Sheldrick, Acta Cryst. (2008). A64, 112-122)'
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_computing_structure_solution
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 SIR-92 (A. Altomare, G. Cascarano, C. Giacovazzo and A. Guagliardi,
 J. Appl. Crystallogr. 1993, 26, 343-350.)
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_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1419
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_diffrn_measurement_device_type  'Oxford Diffraction, Xcalibur, EOS'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         30.857
_diffrn_reflns_theta_min         2.219
_exptl_absorpt_coefficient_mu    0.587
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_exptl_absorpt_correction_T_min  0.977
_exptl_absorpt_correction_type   multi-scan
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;
 CrysAlisPro, Agilent Technologies,
 Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
 (compiled Feb  1 2013,16:14:44)
 Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear orange'
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_description       'fragment of prism'
_exptl_crystal_F_000             798
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.28
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_refine_diff_density_max         1.430
_refine_diff_density_min         -0.695
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         11747
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0361P)^2^+2.7091P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1040
_reflns_number_gt                10306
_reflns_number_total             11747
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00618j2.cif
_cod_data_source_block           cb38ck
_cod_depositor_comments
'Adding full bibliography for 7034812--7034816.cif.'
_cod_original_formula_sum        'C38.50 H59 B N2 P3 Rh'
_cod_database_code               7034815
_shelx_res_checksum              17938