Variable coordination modes and catalytic dehydrogenation of B-phenyl amine-boranes.
Kumar, Amit; Priest, Isobel K.; Hooper, Thomas N.; Weller, Andrew S.; Dalton transactions (Cambridge, England : 2003) 45 (2016) 6183–6195; doi:10.1039/c6dt00197a

data_7038549
_publ_section_title
;
 Variable coordination modes and catalytic dehydrogenation of B-phenyl
 amine-boranes.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6183
_journal_page_last               6195
_journal_paper_doi               10.1039/c6dt00197a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C32 H12 B F24, C27 H58 B N P2 Rh'
_chemical_formula_sum            'C59 H70 B2 F24 N P2 Rh'
_chemical_formula_weight         1435.63
_chemical_properties_physical
'Air-sensitive, Moisture-sensitive, Oxygen-sensitive'
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
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2016-02-18 deposited with the CCDC.
2016-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.843(2)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
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_diffrn_reflns_av_R_equivalents  0.0295
_diffrn_reflns_av_unetI/netI     0.0316
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_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            78635
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         76.415
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_exptl_absorpt_coefficient_mu    3.515
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_description       block
_exptl_crystal_F_000             5856
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: 1,2-difluorobenzene/pentane'
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.891
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_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
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_refine_ls_number_reflns         27168
_refine_ls_number_restraints     1194
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0520
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_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^)+(0.0628P)^2^+17.5193P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1115
_refine_ls_wR_factor_ref         0.1206
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23115
_reflns_number_total             27168
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt00197a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7038549--7038556.cif.'
_cod_database_code               7038549
_shelxl_version_number           2014-3
_shelx_res_checksum              7488