Chalcogen extrusion from heteroallenes and carbon monoxide by a three-coordinate rh(i) disilylamide.
Whited, Matthew T.; Qiu, Lisa; Kosanovich, Alex J.; Janzen, Daron E.; Inorganic chemistry 54 (2015) 3670–3679; doi:10.1021/acs.inorgchem.5b00305

data_4346105
_publ_section_title
;
 Chalcogen extrusion from heteroallenes and carbon monoxide by a
 three-coordinate rh(i) disilylamide.
;
_journal_issue                   7
_journal_name_full               'Inorganic chemistry'
_journal_page_first              3670
_journal_page_last               3679
_journal_paper_doi               10.1021/acs.inorgchem.5b00305
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C22 H49 P2 Rh S3 Si'
_chemical_formula_sum            'C22 H49 P2 Rh S3 Si'
_chemical_formula_weight         602.73
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-01-27
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.19 svn.r3143 for OlexSys, GUI svn.r4992)
;
_cell_angle_alpha                90
_cell_angle_beta                 100.277(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.881(2)
_cell_length_b                   14.908(3)
_cell_length_c                   18.667(4)
_cell_measurement_reflns_used    17214
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.50
_cell_measurement_theta_min      3.20
_cell_volume                     2979.5(10)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r13'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r13 (Rigaku, 2011)'
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_computing_structure_solution    'SIR2008 (Burla et al., 2007)'
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean 6.827
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1557
_diffrn_reflns_av_unetI/netI     0.1163
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
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_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24202
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.170
_exptl_absorpt_coefficient_mu    0.940
_exptl_absorpt_correction_T_max  0.829
_exptl_absorpt_correction_T_min  0.490
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_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1272
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_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.658
_refine_diff_density_min         -0.737
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         6061
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.1085
_refine_ls_R_factor_gt           0.0621
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0434P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1150
_refine_ls_wR_factor_ref         0.1294
_reflns_number_gt                3950
_reflns_number_total             6061
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic5b00305_si_002.cif
_cod_data_source_block           scu1435_compound2
_cod_database_code               4346105
_shelxl_version_number           2014-3
_shelx_res_checksum              91294
_shelx_hkl_checksum              90628