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_7705318
_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_moiety         'C19 H42 Si5'
_chemical_formula_sum            'C19 H42 Si5'
_chemical_formula_weight         410.97
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-05-07 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                89.447(2)
_cell_angle_beta                 89.918(2)
_cell_angle_gamma                87.141(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0809(7)
_cell_length_b                   9.9667(9)
_cell_length_c                   14.8247(13)
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_cell_measurement_temperature    152(2)
_cell_measurement_theta_max      32.56
_cell_measurement_theta_min      2.45
_cell_volume                     1340.0(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      152(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0235
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
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_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_limit_k_min       -15
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_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            31847
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.651
_diffrn_reflns_theta_min         1.374
_exptl_absorpt_coefficient_mu    0.268
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.6930
_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            red
_exptl_crystal_density_diffrn    1.019
_exptl_crystal_description       block
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_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.603
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_refine_diff_density_max         0.695
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_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0369P)^2^+1.4996P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1290
_refine_ls_wR_factor_ref         0.1327
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8254
_reflns_number_total             9747
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02943b2.cif
_cod_data_source_block           sh3832
_cod_depositor_comments
'Adding full bibliography for 7705318--7705321.cif.'
_cod_database_code               7705318
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.855
_shelx_estimated_absorpt_t_max   0.951
_shelx_res_checksum              7832