A hydrogen-bridged bis(silylene) complex as a platform for small molecule activation <i>via</i> adjacent metal-ligand cooperation.
Hashimoto, Hisako; Matsuo, Satomi; Odagiri, Yuto; Tobita, Hiromi; Dalton transactions (Cambridge, England : 2003) 54 (2025) 915–919; doi:10.1039/d4dt03226h

data_7717663
_publ_section_title
;
 A hydrogen-bridged bis(silylene) complex as a platform for small molecule
 activation <i>via</i> adjacent metal-ligand cooperation.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              915
_journal_page_last               919
_journal_paper_doi               10.1039/d4dt03226h
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C23 H38 O3 Si2 W, C7 H8'
_chemical_formula_sum            'C30 H46 O3 Si2 W'
_chemical_formula_weight         694.70
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-11-18 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.0881(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.6063(3)
_cell_length_b                   16.0363(4)
_cell_length_c                   14.7843(3)
_cell_measurement_reflns_used    18529
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      1.42
_cell_volume                     3128.83(12)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver.1.11'
_computing_molecular_graphics    'Yadokari-XG2009(Wakita, Nemoto et al.,2009)'
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_computing_structure_refinement
;
'SHELXL-97 (Sheldrick, 1997)', 'SHELXL-2018/3 (Sheldrick, 2018)'
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      140(2)
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_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0349
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_diffrn_reflns_limit_h_max       17
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_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28817
_diffrn_reflns_point_group_measured_fraction_full 0.987
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_exptl_absorpt_coefficient_mu    3.796
_exptl_absorpt_correction_T_max  0.5324
_exptl_absorpt_correction_T_min  0.4756
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'NUMABS (Higashi, 1999)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.556
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6990
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.0453
_refine_ls_R_factor_gt           0.0376
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0217P)^2^+12.6164P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0825
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6228
_reflns_number_total             6990
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03226h2.cif
_cod_data_source_block           mstuo04
_cod_depositor_comments
'Adding full bibliography for 7717662--7717666.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7717663
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.476
_shelx_estimated_absorpt_t_max   0.532
_shelx_res_checksum              37592
_shelx_hkl_checksum              92145