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_7717666
_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         'C26 H44 N2 O2 Si2 W, C7 H8'
_chemical_formula_sum            'C33 H52 N2 O2 Si2 W'
_chemical_formula_weight         748.79
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;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2024-11-18 deposited with the CCDC.	2024-12-10 downloaded from the CCDC.
;
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_cell_measurement_reflns_used    84720
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_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'Rigaku curved IP area detector'
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'Imaging plate area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku RAPID S'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_unetI/netI     0.0269
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            48098
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.240
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_min         1.540
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.478
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_exptl_absorpt_process_details   'NUMABS (Higashi, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_description       block
_exptl_crystal_F_000             3056
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_exptl_crystal_size_mid          0.26
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0667
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+68.3199P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1141
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7171
_reflns_number_total             7894
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03226h2.cif
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_cod_depositor_comments
'Adding full bibliography for 7717662--7717666.cif.'
_cod_database_code               7717666
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.465
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_olex2_refinement_description
;
1. Others
 Fixed Sof: H27A(0.5) H27B(0.5) H27C(0.5) H34A(0.5) H34B(0.5) H34C(0.5)
 Fixed U12: C27(0) C28(0) C29(0) C30(0) C31(0) C32(0) C33(0) C34(0) C35(0)
 C38(0)
 Fixed U23: C27(0) C28(0) C29(0) C30(0) C31(0) C32(0) C33(0) C34(0) C35(0)
 C38(0)
 Fixed Uiso: H8A(0.072) H8B(0.072) H8C(0.072) H9A(0.068) H9B(0.068) H9C(0.068)
 H10A(0.062) H10B(0.062) H10C(0.062) H11A(0.06) H11B(0.06) H11C(0.06)
 H12A(0.067) H12B(0.067) H12C(0.067) H13A(0.087) H13B(0.087) H13C(0.087)
 H15A(0.088) H15B(0.088) H15C(0.088) H16A(0.08) H16B(0.08) H16C(0.08)
 H17A(0.08) H17B(0.08) H17C(0.08) H18A(0.064) H18B(0.064) H18C(0.064)
 H19A(0.056) H19B(0.056) H19C(0.056) H20(0.033) H21(0.034) H23(0.034)
 H24(0.037) H25A(0.059) H25B(0.059) H25C(0.059) H26A(0.049) H26B(0.049)
 H26C(0.049) H27A(0.074) H27B(0.074) H27C(0.074) H29(0.042) H30(0.053)
 H31(0.05) H32(0.05) H33(0.044) H34A(0.161) H34B(0.161) H34C(0.161) H36(0.071)
 H37(0.092) H38(0.098)
 Fixed X: H8A(0.300301) H8B(0.305901) H8C(0.3999) H9A(0.36151) H9B(0.4684)
 H9C(0.3941) H10A(0.5149) H10B(0.4268) H10C(0.432488) H11A(0.348701)
 H11B(0.3728) H11C(0.4548) H12A(0.383201) H12B(0.277489) H12C(0.3022)
 H13A(0.0592) H13B(0.16561) H13C(0.081) H15A(-0.023312) H15B(-0.0162) H15C(-
 0.1155) H16A(-0.0527) H16B(-0.0366) H16C(-0.134689) H17A(-0.147699) H17B(-
 0.0519) H17C(-0.0916) H18A(0.2162) H18B(0.3076) H18C(0.2125) H19A(0.0543)
 H19B(0.03599) H19C(0.0749) H20(0.301701) H21(0.36291) H23(0.3016) H24(0.23399)
 H25A(0.4597) H25B(0.4386) H25C(0.3594) H26A(0.31181) H26B(0.4129) H26C(0.4049)
 H27A(0.32431) H27B(0.301001) H27C(0.307) H29(0.1448) H30(-0.0158) H31(-0.0741)
 H32(0.030399) H33(0.1925) H34A(0.4739) H34B(0.4381) H34C(0.473489)
 H36(0.325211) H37(0.1749) H38(0.10521)
 Fixed Y: H8A(0.19521) H8B(0.206589) H8C(0.2042) H9A(0.148211) H9B(0.136)
 H9C(0.1026) H10A(0.0505) H10B(0.023001) H10C(0.0435) H11A(0.06881)
 H11B(0.0343) H11C(0.062201) H12A(0.16571) H12B(0.173901) H12C(0.134399)
 H13A(0.2078) H13B(0.2041) H13C(0.19591) H15A(0.06311) H15B(0.0898)
 H15C(0.0837) H16A(0.14171) H16B(0.094399) H16C(0.113911) H17A(0.1491)
 H17B(0.168211) H17C(0.180901) H18A(0.076589) H18B(0.0498) H18C(0.029201)
 H19A(0.0144) H19B(0.045) H19C(0.0009) H20(-0.02) H21(-0.0825) H23(-0.0691)
 H24(-0.0089) H25A(-0.131089) H25B(-0.1704) H25C(-0.1526) H26A(-0.1434) H26B(-
 0.1628) H26C(-0.11869) C27(0.25) H27A(0.2432) H27B(0.2302) H27C(0.276689)
 C28(0.25) C29(0.25) H29(0.25) C30(0.25) H30(0.25) C31(0.25) H31(0.25)
 C32(0.25) H32(0.25) C33(0.25) H33(0.25) C34(-0.25) H34A(-0.2262) H34B(-0.2497)
 H34C(-0.274199) C35(-0.25) H36(-0.3101) H37(-0.308789) C38(-0.25) H38(-0.25)
 Fixed Z: H8A(0.112801) H8B(0.005) H8C(0.065701) H9A(0.219) H9B(0.199901)
 H9C(0.2308) H10A(0.0741) H10B(0.0475) H10C(0.147901) H11A(-0.181499) H11B(-
 0.10819) H11C(-0.14819) H12A(-0.1704) H12B(-0.138189) H12C(-0.196) H13A(-
 0.0516) H13B(-0.0167) H13C(0.05391) H15A(-0.0704) H15B(-0.1625) H15C(-0.1123)
 H16A(0.0916) H16B(0.0811) H16C(0.051101) H17A(-0.1059) H17B(-0.1434) H17C(-
 0.0437) H18A(0.2958) H18B(0.2779) H18C(0.31321) H19A(0.0991) H19B(0.1827)
 H19C(0.2037) H20(0.255301) H21(0.2319) H23(-0.043611) H24(-0.0093)
 H25A(0.1825) H25B(0.122211) H25C(0.189301) H26A(-0.0403) H26B(-0.0217) H26C(-
 0.0649) H27A(0.625311) H27B(0.7297) H27C(0.703) H29(0.7946) H30(0.7684)
 H31(0.6175) H32(0.493) H33(0.518001) H34A(-0.222511) H34B(-0.312699) H34C(-
 0.223711) H36(-0.2026) H37(-0.136689) H38(-0.1)
;
_shelx_res_checksum              47683
_shelx_hkl_checksum              5115
_olex2_submission_special_instructions 'No special instructions were received'