Phosphine-Boranes as Bidentate Ligands: Formation of [8,8-η2-{η2-(BH3).dppm}-nido-8,7-RhSB9H10] and [9,9-η2-{η2-(BH3).dppm}-nido-9,7,8-RhC2B8H11] from [8,8-(η2-dppm)-8-(η1-dppm)-nido-8,7-RhSB9H10] and [9,9-(η2-dppm)-9-(η1-dppm)-nido-9,7,8-RhC2B8H11], Respectively
Oleg Volkov; Ramón Macías; Nigam P. Rath; Lawrence Barton; Inorganic Chemistry 41 (2002) 5837–5843; doi:10.1021/ic0258375

data_4318795
_publ_section_title
;
 Phosphine-Boranes as Bidentate Ligands: Formation of
 [8,8-\h2-{\h2-(BH3).dppm}-nido-8,7-RhSB9H10] and
 [9,9-\h2-{\h2-(BH3).dppm}-nido-9,7,8-RhC2B8H11] from
 [8,8-(\h2-dppm)-8-(\h1-dppm)-nido-8,7-RhSB9H10] and
 [9,9-(\h2-dppm)-9-(\h1-dppm)-nido-9,7,8-RhC2B8H11], Respectively
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5837
_journal_page_last               5843
_journal_paper_doi               10.1021/ic0258375
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C27 H36 B9 P2 Rh'
_chemical_formula_weight         622.70
_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                91.269(6)
_cell_angle_beta                 91.546(6)
_cell_angle_gamma                106.672(6)
_cell_formula_units_Z            4
_cell_length_a                   10.8504(9)
_cell_length_b                   16.1632(14)
_cell_length_c                   18.1727(15)
_cell_measurement_reflns_used    6712
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      2.2
_cell_volume                     3050.5(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker-SHELXTL (Sheldrick, 2001)'
_computing_publication_material  'Bruker-SHELXTL (Sheldrick, 2001)'
_computing_structure_refinement  'Bruker-SHELXTL (Sheldrick, 2001)'
_computing_structure_solution    'Bruker-SHELXTL (Sheldrick, 2001)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0807
_diffrn_reflns_av_sigmaI/netI    0.1184
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            45520
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    0.682
_exptl_absorpt_correction_T_max  0.9226
_exptl_absorpt_correction_T_min  0.8215
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1272
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.696
_refine_diff_density_min         -1.411
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     814
_refine_ls_number_reflns         16095
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1281
_refine_ls_R_factor_gt           0.0633
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+12.6681P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1461
_refine_ls_wR_factor_ref         0.1736
_reflns_number_gt                9563
_reflns_number_total             16095
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0258375_s1_2.cif
_cod_data_source_block           Compd4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'no' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

;
_cod_original_cell_volume        3050.5(4)
_cod_database_code               4318795