Information card for entry 4074671

Structure parameters

• Chemical name: [Ti(mu-S)(C5H4Me){PhC(NSiMe3)2}]2
• Formula: C38 H60 N4 S2 Si4 Ti2
• Calculated formula: C38 H60 N4 S2 Si4 Ti2
• SMILES: C[Si](C)(N1[Ti]23456([c]7([cH]2[cH]3[cH]4[cH]57)C)([N](=C1c1ccccc1)[Si](C)(C)C)S[Ti]12345([N](=C(c7ccccc7)N1[Si](C)(C)C)[Si](C)(C)C)(S6)[c]1([cH]2[cH]3[cH]4[cH]51)C)C
• Title of publication: Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds
• Authors of publication: Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 5
• Pages of publication: 1167 - 1187
• a: 9.416 ± 0.001 Å
• b: 10.684 ± 0.002 Å
• c: 12.409 ± 0.002 Å
• α: 93.934 ± 0.006°
• β: 94.552 ± 0.008°
• γ: 115.495 ± 0.008°
• Cell volume: 1115.9 ± 0.3 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.0534
• Goodness-of-fit parameter for significantly intense reflections: 1.0971
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No