Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.
Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 5416–5419; doi:10.1039/d0dt00725k

data_7703836
_publ_section_title
;
 Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a
 Rh(i) centre.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5416
_journal_page_last               5419
_journal_paper_doi               10.1039/d0dt00725k
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C16 H20 S2 Si'
_chemical_formula_sum            'C16 H20 S2 Si'
_chemical_formula_weight         304.53
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-12-04 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.3070(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.55760(10)
_cell_length_b                   14.09020(10)
_cell_length_c                   13.42620(10)
_cell_measurement_reflns_used    23530
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      76.1100
_cell_measurement_theta_min      4.5460
_cell_volume                     1597.60(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w    -44.00   1.00   1.00    1.00    --  -42.66  38.00  90.00   45
  2  \w     -7.00  28.00   1.00    1.00    --  -42.66  38.00  30.00   35
  3  \w   -113.00 -16.00   1.00    1.00    --  -42.66 -77.00 -30.00   97
  4  \w    -75.00 -38.00   1.00    1.00    --  -42.66-178.00 -30.00   37
  5  \w   -115.00 -90.00   1.00    1.00    --  -42.66-178.00 -30.00   25
  6  \w     43.00  69.00   1.00    1.50    --  111.00 -30.00 150.00   26
  7  \w     42.00  80.00   1.00    1.50    --  111.00 -45.00 120.00   38
  8  \w     45.00  95.00   1.00    1.50    --  111.00 -45.00 150.00   50
  9  \w     60.00  87.00   1.00    1.50    --  111.00 -45.00  60.00   27
 10  \w     61.00  91.00   1.00    1.50    --  111.00 -30.00   0.00   30
 11  \w    100.00 126.00   1.00    1.50    --  111.00 -61.00 -30.00   26
 12  \w     71.00  98.00   1.00    1.50    --  111.00 -45.00-120.00   27
 13  \w     65.00  91.00   1.00    1.50    --  111.00 -77.00 -60.00   26
 14  \w     69.00  99.00   1.00    1.50    --  111.00 -61.00 -30.00   30
 15  \w     59.00  85.00   1.00    1.50    --  111.00 -30.00-120.00   26
 16  \w     42.00  71.00   1.00    1.50    --  111.00 -30.00-180.00   29
 17  \w     41.00  80.00   1.00    1.50    --  111.00 -45.00   0.00   39
 18  \w     39.00 108.00   1.00    1.50    --  111.00 -95.00   0.00   69
 19  \w     88.00 171.00   1.00    1.50    --  111.00  45.00  30.00   83
 20  \w    137.00 178.00   1.00    1.50    --  111.00 106.00  53.00   41
 21  \w     97.00 139.00   1.00    1.50    --  111.00 125.00  30.00   42
 22  \w    -47.00  25.00   1.00    1.00    --  -42.66  38.00   0.00   72
 23  \w     58.00 128.00   1.00    1.00    --   42.66 178.00-120.00   70
 24  \w     34.00  64.00   1.00    1.00    --   42.66 -19.00 -90.00   30
 25  \w      2.00  40.00   1.00    1.00    --   42.66 -99.00-180.00   38
 26  \w    -36.00  -7.00   1.00    1.00    --   42.66 -19.00 -90.00   29
 27  \w     96.00 121.00   1.00    1.50    --  111.00-125.00 -60.00   25
 28  \w     60.00  92.00   1.00    1.50    --  111.00-125.00 -60.00   32
 29  \w     41.00  66.00   1.00    1.50    --  111.00-125.00 150.00   25
 30  \w    106.00 132.00   1.00    1.50    --  111.00 125.00  60.00   26
 31  \w     63.00 107.00   1.00    1.50    --  111.00 -95.00 150.00   44
 32  \w     80.00 151.00   1.00    1.50    --  111.00  77.00-180.00   71
 33  \w     92.00 178.00   1.00    1.50    --  111.00  45.00 120.00   86
 34  \w     77.00 110.00   1.00    1.50    --  111.00-125.00 -90.00   33
 35  \w     43.00  89.00   1.00    1.50    --  111.00 -30.00 -60.00   46
 36  \w     71.00 121.00   1.00    1.50    --  111.00-125.00  60.00   50
 37  \w     81.00 120.00   1.00    1.50    --  111.00-125.00 150.00   39
 38  \w     57.00  89.00   1.00    1.50    --  111.00 -95.00 -90.00   32
 39  \w    145.00 171.00   1.00    1.50    --  111.00 125.00-150.00   26
 40  \w    110.00 157.00   1.00    1.50    --  111.00  45.00 150.00   47
 41  \w     38.00  63.00   1.00    1.50    --  111.00 -30.00   0.00   25
 42  \w    100.00 126.00   1.00    1.50    --  111.00   0.00 -30.00   26
 43  \w     23.00  97.00   1.00    1.00    --   42.66  38.00 -90.00   74
 44  \w    101.00 127.00   1.00    1.00    --   42.66 178.00 -60.00   26
 45  \w     54.00  80.00   1.00    1.50    --  111.00 -45.00  90.00   26
 46  \w    122.00 148.00   1.00    1.50    --  111.00  45.00   0.00   26
 47  \w     71.00  96.00   1.00    1.50    --  111.00  15.00-120.00   25
 48  \w    139.00 165.00   1.00    1.50    --  111.00  15.00-120.00   26
 49  \w    153.00 178.00   1.00    1.50    --  111.00 125.00 -60.00   25
 50  \w      7.00  32.00   1.00    1.00    --   42.00  87.00  16.88   25
 51  \w      7.00  33.00   1.00    1.00    --   42.00  87.00 -38.11   26
 52  \w   -115.00 -86.00   1.00    1.00    --  -42.66 -38.00  90.00   29
 53  \w    -64.00 -23.00   1.00    1.00    --  -42.66 -38.00  90.00   41
 54  \w     16.00  58.00   1.00    1.00    --   42.66  57.00  90.00   42
 55  \w     60.00 127.00   1.00    1.00    --   42.66 178.00  30.00   67
 56  \w     15.00  44.00   1.00    1.00    --   46.00  78.00 173.50   29
 57  \w     19.00  44.00   1.00    1.00    --   46.00  62.00 -70.11   25
 58  \w     17.00  42.00   1.00    1.00    --   50.00  82.00-119.37   25
 59  \w     22.00  47.00   1.00    1.00    --   54.00  78.00 145.12   25
 60  \w     22.00  47.00   1.00    1.00    --   54.00  78.00  -4.27   25
 61  \w     28.00  54.00   1.00    1.00    --   58.00  76.00  37.62   26
 62  \w     27.00  53.00   1.00    1.00    --   58.00  74.00  98.95   26
 63  \w     32.00  65.00   1.00    1.00    --   62.00  77.00 -72.00   33
 64  \w     33.00  59.00   1.00    1.00    --   62.00  76.00  42.28   26
 65  \w     32.00  57.00   1.00    1.00    --   62.00  75.00-128.99   25
 66  \w     31.00  57.00   1.00    1.00    --   62.00  77.00-164.09   26
 67  \w     39.00  65.00   1.00    1.00    --   70.00  76.00  55.20   26
 68  \w     39.00  65.00   1.00    1.00    --   70.00  76.00 118.49   26
 69  \w     43.00  69.00   1.00    1.00    --   74.00  76.00 -33.87   26
 70  \w     43.00  69.00   1.00    1.00    --   74.00  77.00-119.31   26
 71  \w     43.00  78.00   1.00    1.00    --   74.00  76.00-176.06   35
 72  \w     43.00  70.00   1.00    1.00    --   74.00  77.00 147.28   27
 73  \w     47.00  72.00   1.00    1.50    --   78.00  76.00 129.10   25
 74  \w     54.00  89.00   1.00    1.50    --   82.00  63.00 -86.21   35
 75  \w     58.00  84.00   1.00    1.50    --   86.00  62.00 -43.62   26
 76  \w     57.00 100.00   1.00    1.50    --   86.00  67.00  -7.93   43
 77  \w     58.00  87.00   1.00    1.50    --   86.00  66.00  68.08   29
 78  \w    105.00 142.00   1.00    1.50    --   86.00  67.00  -7.93   37
 79  \w     61.00  87.00   1.00    1.50    --   90.00  66.00  87.53   26
 80  \w     62.00  89.00   1.00    1.50    --   90.00  72.00 146.37   27
 81  \w     68.00  94.00   1.00    1.50    --   98.00  72.00-144.31   26
 82  \w     72.00 134.00   1.00    1.50    --  102.00  73.00  13.02   62
 83  \w     80.00 166.00   1.00    1.50    --  111.00  77.00 -90.00   86
 84  \w     80.00 108.00   1.00    1.50    --  111.00  77.00  90.00   28
 85  \w    127.00 153.00   1.00    1.50    --  111.00  77.00 150.00   26
 86  \w     80.00 143.00   1.00    1.50    --  111.00  77.00-120.00   63
 87  \w     80.00 106.00   1.00    1.50    --  111.00  77.00 150.00   26
 88  \w    122.00 147.00   1.00    1.50    --  111.00  61.00-120.00   25
 89  \w     80.00 106.00   1.00    1.50    --  111.00  77.00   0.00   26
 90  \w     85.00 119.00   1.00    1.50    --  111.00  61.00-120.00   34
 91  \w    114.00 140.00   1.00    1.50    --  111.00  61.00-150.00   26
 92  \w     83.00 110.00   1.00    1.50    --  111.00  61.00-150.00   27
 93  \w     80.00 111.00   1.00    1.50    --  111.00  77.00  60.00   31
 94  \w     85.00 115.00   1.00    1.50    --  111.00  61.00  90.00   30
 95  \w     87.00 138.00   1.00    1.50    --  111.00  61.00 -60.00   51
 96  \w    133.00 159.00   1.00    1.50    --  111.00  61.00-180.00   26
 97  \w     84.00 109.00   1.00    1.50    --  111.00  61.00-180.00   25
 98  \w     81.00 163.00   1.00    1.50    --  111.00  74.00 -39.56   82
 99  \w     80.00 134.00   1.00    1.50    --  111.00  77.00  30.00   54
100  \w     81.00 107.00   1.00    1.50    --  111.00  77.00 120.00   26
101  \w     80.00 112.00   1.00    1.50    --  111.00  77.00-150.00   32
102  \w    139.00 166.00   1.00    1.50    --  111.00  61.00   0.00   27
103  \w     84.00 109.00   1.00    1.50    --  111.00  61.00   0.00   25
104  \w    113.00 158.00   1.00    1.50    --  111.00  77.00 -60.00   45
105  \w     80.00 107.00   1.00    1.50    --  111.00  77.00 -60.00   27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0290
_diffrn_reflns_av_unetI/netI     0.0109
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_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            38522
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.207
_diffrn_reflns_theta_min         4.581
_exptl_absorpt_coefficient_mu    3.596
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.60368
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.278
_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         3336
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0243
_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^)+(0.0325P)^2^+0.6233P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0636
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3162
_reflns_number_total             3336
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00725k2.cif
_cod_data_source_block           156amm18
_cod_depositor_comments
'Adding full bibliography for 7703836--7703839.cif.'
_cod_database_code               7703836
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.479
_shelx_estimated_absorpt_t_min   0.433
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13)
2.b Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
;
_shelx_res_checksum              12035
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;