Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible and irreversible activation of C[double bond, length as m-dash]C double bonds and dihydrogen.
Leszczyńska, Kinga I; Deglmann, Peter; Präsang, Carsten; Huch, Volker; Zimmer, Michael; Schweinfurth, David; Scheschkewitz, David; Dalton transactions (Cambridge, England : 2003) 49 (2020) 13218–13225; doi:10.1039/d0dt02943b

data_7705321
_publ_section_title
;
 Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible
 and irreversible activation of C[double bond, length as m-dash]C double
 bonds and dihydrogen.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13218
_journal_page_last               13225
_journal_paper_doi               10.1039/d0dt02943b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C29 H62 N2 Si6'
_chemical_formula_weight         607.34
_chemical_properties_physical    Air-sensitive,Moisture-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'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-08-26 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.6700(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7576(4)
_cell_length_b                   34.3258(13)
_cell_length_c                   11.0315(4)
_cell_measurement_reflns_used    9615
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      35.66
_cell_measurement_theta_min      2.36
_cell_volume                     3785.6(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            116263
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         35.694
_diffrn_reflns_theta_min         2.122
_exptl_absorpt_coefficient_mu    0.240
_exptl_absorpt_correction_T_max  0.7470
_exptl_absorpt_correction_T_min  0.7070
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.066
_exptl_crystal_description       block
_exptl_crystal_F_000             1336
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexane'
_exptl_crystal_size_max          0.355
_exptl_crystal_size_mid          0.305
_exptl_crystal_size_min          0.206
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         17495
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.184
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0736
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0277P)^2^+4.2996P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1595
_refine_ls_wR_factor_ref         0.1648
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14530
_reflns_number_total             17495
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02943b2.cif
_cod_data_source_block           sh4217
_cod_depositor_comments
'Adding full bibliography for 7705318--7705321.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705321
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.920
_shelx_estimated_absorpt_t_max   0.952
_shelx_res_checksum              81956