Information card for entry 7715129

Structure parameters

• Formula: C78 H119 K2 N4 O12 Ti4
• Calculated formula: C64 H103 K2 N4 O12 Ti4
• Title of publication: Studies on the chemical reduction of polynuclear titanium(IV) nitrido complexes.
• Authors of publication: Caballo, Jorge; Calvo-Molina, Adrián; Claramonte, Sergio; Greño, Maider; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4844 - 4855
• a: 11.6606 ± 0.0008 Å
• b: 18.7723 ± 0.0013 Å
• c: 20.043 ± 0.002 Å
• α: 85.258 ± 0.007°
• β: 78.968 ± 0.007°
• γ: 81.007 ± 0.008°
• Cell volume: 4247 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No