Information card for entry 4307604

Structure parameters

• Formula: C54 H101 Cl N2 P2 Si6 Ti
• Calculated formula: C54 H101 Cl N2 P2 Si6 Ti
• SMILES: [Ti]123(Cl)(N([C]2(=[CH]3[C]1(C)=P(C)(C)CCP(C)C)C)c1c(cc(cc1C)C)C)=Nc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.c1(ccccc1)C
• Title of publication: Nucleophilic Attack toward Group 4 Metal Complexes Bearing Reactive 1-Aza-1,3-butadienyl and Imido Moieties
• Authors of publication: Hirofumi Hamaki; Nobuhiro Takeda; Norihiro Tokitoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1795 - 1802
• a: 11.8582 ± 0.0013 Å
• b: 16.745 ± 0.002 Å
• c: 18.135 ± 0.004 Å
• α: 98.209 ± 0.017°
• β: 101.84 ± 0.015°
• γ: 107.231 ± 0.005°
• Cell volume: 3285.4 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1948
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No