Information card for entry 7011527

Structure parameters

• Chemical name: compound 2
• Formula: C42.5 H85 K N8 P4 Zr
• Calculated formula: C42.5 H85 K N8 P4 Zr
• Title of publication: The formation of an imidozirconium compound by migration of the imido group from phosphorus to zirconium
• Authors of publication: Bai, Guangcai; Roesky, Herbert W.; Noltemeyer, Mathias; Schmidt, Hans-Georg
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 2437 - 2440
• a: 11.07 ± 0.006 Å
• b: 13.937 ± 0.012 Å
• c: 18.628 ± 0.015 Å
• α: 72.35 ± 0.06°
• β: 85.56 ± 0.05°
• γ: 82.79 ± 0.06°
• Cell volume: 2715 ± 4 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: 0.0647
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No