Information card for entry 7014170

Structure parameters

• Common name: {(OC)Pt{PPh2C6H4NSiMe3}3TiCl].2(C6D6)
• Formula: C76 H69 Cl D12 N3 O P3 Pt Si3 Ti
• Calculated formula: C76 H81 Cl N3 O P3 Pt Si3 Ti
• SMILES: [Pt]12([P](c3cc(N([Ti](Cl)(N([Si](C)(C)C)c4cc([P]1(c1ccccc1)c1ccccc1)ccc4)N([Si](C)(C)C)c1cc([P]2(c2ccccc2)c2ccccc2)ccc1)[Si](C)(C)C)ccc3)(c1ccccc1)c1ccccc1)C#[O].c1ccccc1.c1ccccc1
• Title of publication: Early-late, mixed-metal compounds supported by amidophosphine ligands.
• Authors of publication: Mokuolu, Q. Folashade; Duckmanton, Paul A.; Hitchcock, Peter B.; Wilson, Claire; Blake, Alexander J.; Shukla, Lena; Love, Jason B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 13
• Pages of publication: 1960 - 1970
• a: 13.7651 ± 0.0003 Å
• b: 23.4683 ± 0.0006 Å
• c: 22.7171 ± 0.0005 Å
• α: 90°
• β: 94.088 ± 0.002°
• γ: 90°
• Cell volume: 7319.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No