Structure and Properties of Halogeno(hydrido)(triorganosilyl)rhodium(III) Complexes, RhX(H)(SiR1nR23-n)(PPh3)2(X = Cl, I; R1= OSiMe3, OEt, R2= Me). Influence of the Alkoxy Groups and Halo Ligand on Stability and Reactivity of the Complexes
Nishihara, Yasushi; Takemura, Miwa; Osakada, Kohtaro; Organometallics 21 (2002) 825–; doi:10.1021/om010862o

data_4089319
_publ_section_title
;
 Structure and Properties of Halogeno(hydrido)(triorganosilyl)rhodium(III)
 Complexes, RhX(H)(SiR1nR23-n)(PPh3)2(X = Cl, I; R1= OSiMe3, OEt, R2= Me).
 Influence of the Alkoxy Groups and Halo Ligand on Stability and
 Reactivity of the Complexes
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              825
_journal_paper_doi               10.1021/om010862o
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C42 H46 I O3 P2 Rh Si '
_chemical_formula_sum            'C42 H46 I O3 P2 Rh Si'
_chemical_formula_weight         918.67
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                112.62(1)
_cell_angle_beta                 101.99(2)
_cell_angle_gamma                88.50(2)
_cell_formula_units_Z            2
_cell_length_a                   13.171(3)
_cell_length_b                   13.706(3)
_cell_length_c                   12.637(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      10.7
_cell_measurement_theta_min      9.5
_cell_volume                     2056.2(8)
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.03215
_diffrn_orient_matrix_UB_12      0.04198
_diffrn_orient_matrix_UB_13      0.08434
_diffrn_orient_matrix_UB_21      0.03622
_diffrn_orient_matrix_UB_22      -0.06354
_diffrn_orient_matrix_UB_23      0.00525
_diffrn_orient_matrix_UB_31      0.06083
_diffrn_orient_matrix_UB_32      0.02165
_diffrn_orient_matrix_UB_33      -0.02369
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.03036
_diffrn_reflns_av_sigmaI/netI    0.100
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9832
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.63
_diffrn_standards_decay_%        -2.52
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.308
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.737
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             928.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.57
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.652
_refine_ls_goodness_of_fit_ref   1.650
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     455
_refine_ls_number_reflns         5320
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0399
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.0300
_refine_ls_shift/su_mean         0.0011
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0300
_refine_ls_wR_factor_ref         0.0300
_reflns_number_gt                5320
_reflns_number_total             9421
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            om010862o.cif
_cod_data_source_block           form2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 

 Corrected the values of the '_diffrn_radiation_type',
 '_exptl_absorpt_correction_type', '_reflns_threshold_expression'
 and '_refine_ls_weighting_details' data items by replacing a
 sequence of malformed symbols with the backslash symbol ('\')
 after consulting the original publication.

 Antanas Vaitkus,
 2019-12-11
;
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C42 H46 I O3 P2 Rh Si '
_cod_database_code               4089319