Information card for entry 7715130

Structure parameters

• Formula: C62 H100 K N6 O6 Si Ti4
• Calculated formula: C54.5 H88 K0.75 N5.5 O4.5 Si 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: 23.739 ± 0.003 Å
• b: 33.351 ± 0.003 Å
• c: 16.799 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13300 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No