Information card for entry 4067091

Structure parameters

• Formula: C42 H65 Cu N4 Si Ti3
• Calculated formula: C42 H65 Cu N4 Si Ti3
• SMILES: C(#C[Si](C)(C)C)[Cu]12[NH]3[Ti]45678([c]9([c]4([c]6([c]8([c]79C)C)C)C)C)N4[Ti]67893([c]3([c]6([c]9([c]8([c]73C)C)C)C)C)[NH]2[Ti]23467([c]4([c]2([c]3([c]6([c]74C)C)C)C)C)[NH]15.c1ccccc1C
• Title of publication: Cyclopentadienyl and Alkynyl Copper(I) Derivatives with the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand
• Authors of publication: Martínez-Espada, Noelia; Mena, Miguel; Mosquera, Marta E. G.; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6732
• a: 18.177 ± 0.006 Å
• b: 14.088 ± 0.003 Å
• c: 19.891 ± 0.003 Å
• α: 90°
• β: 113.943 ± 0.013°
• γ: 90°
• Cell volume: 4655 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0866
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No