Information card for entry 7715128

Structure parameters

• Formula: C64 H108 N4 Na O6 Ti4
• Calculated formula: C63.9996 H107.999 N4 Na O6 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: 23.803 ± 0.005 Å
• b: 23.803 ± 0.005 Å
• c: 23.803 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13486 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 199
• Hermann-Mauguin space group symbol: I 21 3
• Hall space group symbol: I 2b 2c 3
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No