Information card for entry 2204029

Structure parameters

• Chemical name: μ-Oxo-bis[azidobis(η^5^-cyclopentadienyl)titanium(IV)]
• Formula: C20 H20 N6 O Ti2
• Calculated formula: C20 H20 N6 O Ti2
• SMILES: [Ti]12345678(O[Ti]9%10%11%12%13%14%15%16([cH]%17[cH]9[cH]%10[cH]%11[cH]%12%17)([cH]9[cH]%13[cH]%14[cH]%15[cH]%169)N=N#N)([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]5[cH]6[cH]7[cH]81)N=N#N
• Title of publication: μ-Oxo-bis[azidobis(η^5^-cyclopentadienyl)titanium(IV)]
• Authors of publication: Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Císařová, Ivana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: m1090 - m1091
• a: 15.286 ± 0.0004 Å
• b: 8.362 ± 0.0002 Å
• c: 15.69 ± 0.0004 Å
• α: 90°
• β: 101.086 ± 0.0016°
• γ: 90°
• Cell volume: 1968.1 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes