Information card for entry 4340868

Structure parameters

• Formula: C40 H61 N4 Ti4
• Calculated formula: C40 H61 N4 Ti4
• Title of publication: Partial hydrogenation of a tetranuclear titanium nitrido complex with ammonia borane.
• Authors of publication: Caballo, Jorge; González-Moreiras, Mariano; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 8851 - 8853
• a: 10.9585 ± 0.0006 Å
• b: 11.0575 ± 0.0007 Å
• c: 18.3538 ± 0.0012 Å
• α: 82.584 ± 0.006°
• β: 82.123 ± 0.005°
• γ: 66.667 ± 0.005°
• Cell volume: 2016 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No