Information card for entry 7036569

Structure parameters

• Formula: C30 H47 Cl3 N4 Ti3 Zr
• Calculated formula: C30 H47 Cl3 N4 Ti3 Zr
• Title of publication: Homo and heteropolymetallic Group 4 molecular nitrides.
• Authors of publication: Caballo, Jorge; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18145 - 18157
• a: 11.065 ± 0.003 Å
• b: 17.559 ± 0.004 Å
• c: 18.813 ± 0.003 Å
• α: 90°
• β: 93.44 ± 0.04°
• γ: 90°
• Cell volume: 3648.6 ± 1.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No