Information card for entry 4332412

Structure parameters

• Formula: C66 H100 Cu2 N8 Ti6
• Calculated formula: C66 H100 Cu2 N8 Ti6
• Title of publication: Cube-Type Nitrido Complexes Containing Titanium and Zinc/Copper
• Authors of publication: Martín, Avelino; Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6901 - 6911
• a: 12.3971 ± 0.0019 Å
• b: 14.963 ± 0.003 Å
• c: 22.185 ± 0.002 Å
• α: 90°
• β: 123.56 ± 0.01°
• γ: 90°
• Cell volume: 3429.3 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1376
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2816
• Weighted residual factors for all reflections included in the refinement: 0.307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No