Information card for entry 4332411

Structure parameters

• Formula: C36 H65 N5 Si2 Ti3 Zn
• Calculated formula: C36 H65 N5 Si2 Ti3 Zn
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ti]162345N2[Ti]34578([c]9([c]7([c]5([c]4([c]39C)C)C)C)C)[NH]1[Zn]1(N([Si](C)(C)C)[Si](C)(C)C)N6[Ti]34562([c]2([c]4([c]5([c]6([c]32C)C)C)C)C)[NH]81)C)C)C)C
• 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: 11.645 ± 0.003 Å
• b: 11.906 ± 0.003 Å
• c: 17.621 ± 0.004 Å
• α: 81.76 ± 0.02°
• β: 87.73 ± 0.02°
• γ: 65.84 ± 0.02°
• Cell volume: 2205.6 ± 1 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: 0.0669
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No