Nickel-assisted complete cleavage of CO by a silylene/siliconoid hybrid under formation of an Si[double bond, length as m-dash]C enol ether bridge.
Poitiers, Nadine E.; Huch, Volker; Zimmer, Michael; Scheschkewitz, David; Chemical communications (Cambridge, England) 56 (2020) 10898–10901; doi:10.1039/d0cc04922k

data_7127066
_publ_section_title
;
 Nickel-assisted complete cleavage of CO by a silylene/siliconoid hybrid
 under formation of an Si[double bond, length as m-dash]C enol ether
 bridge.
;
_journal_issue                   74
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10898
_journal_page_last               10901
_journal_paper_doi               10.1039/d0cc04922k
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C91 H138 N2 O Si7, C6 H14'
_chemical_formula_sum            'C97 H152 N2 O Si7'
_chemical_formula_weight         1558.83
_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
;
2020-07-16 deposited with the CCDC.	2020-08-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.4546(9)
_cell_angle_gamma                90
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_cell_length_a                   13.0001(3)
_cell_length_b                   28.8076(8)
_cell_length_c                   26.4244(6)
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_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      29.58
_cell_measurement_theta_min      2.25
_cell_volume                     9878.0(4)
_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'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0382
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
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_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            159316
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.594
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_exptl_absorpt_coefficient_mu    0.140
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.7132
_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            brown
_exptl_crystal_density_diffrn    1.048
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             3416
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexane'
_exptl_crystal_size_max          0.343
_exptl_crystal_size_mid          0.083
_exptl_crystal_size_min          0.028
_refine_diff_density_max         1.489
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_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         27713
_refine_ls_number_restraints     311
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0805P)^2^+6.8234P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1436
_refine_ls_wR_factor_ref         0.1541
_reflns_Friedel_coverage         0.000
_reflns_number_gt                22948
_reflns_number_total             27713
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc04922k2.cif
_cod_data_source_block           sh3999b
_cod_depositor_comments          'Adding full bibliography for 7127066.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7127066
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.954
_shelx_estimated_absorpt_t_max   0.996
_shelx_res_checksum              64852
_shelx_hkl_checksum              20226