Information card for entry 4076987

Structure parameters

• Formula: C74 H110 Ba N8 Ti6
• Calculated formula: C74 H93.96 Ba N8 Ti6
• Title of publication: Titanium−Group 2 Metal Molecular Nitrides
• Authors of publication: Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3308
• a: 15.09 ± 0.002 Å
• b: 15.357 ± 0.002 Å
• c: 16.789 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3890.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.2038
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No