Information card for entry 7700467

Structure parameters

• Common name: (THF)Na[(Xbic)SiPh] . 2 THF
• Chemical name: (Tetrahydrofuran)sodium(9,9-dimethylxanthene-4,5-bis(4,6-di-tert-butyl-2,3-dioxybenzaldimine)(phenyl)silicate) bis(tetrahydrofuran) solvate
• Formula: C63 H81 N2 Na O8 Si
• Calculated formula: C63 H81 N2 Na O8 Si
• SMILES: [N]12=Cc3c4[O]5[Na]671([N](=Cc1c8[O]6[Si]5(Oc4c(cc3C(C)(C)C)C(C)(C)C)(Oc8c(cc1C(C)(C)C)C(C)(C)C)c1ccccc1)c1cccc3c1[O]7c1c(cccc21)C3(C)C)[O]1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Mono- and bimetallic pentacoordinate silicon complexes of a chelating bis(catecholimine) ligand.
• Authors of publication: Do, Thomas H.; Brown, Seth N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11565 - 11574
• a: 16.104 ± 0.002 Å
• b: 19.806 ± 0.003 Å
• c: 17.777 ± 0.002 Å
• α: 90°
• β: 94.068 ± 0.002°
• γ: 90°
• Cell volume: 5655.8 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No