Information card for entry 4302308

Structure parameters

• Formula: C40 H56 N4 Ni O P2
• Calculated formula: C40 H56 N4 Ni O P2
• SMILES: C(C)(C)[P]1(C(C)C)N(N(c2ccccc2)[Ni]21N(c1ccccc1)N([P]2(C(C)C)C(C)C)c1ccccc1)c1ccccc1.C1OCCC1
• Title of publication: The First Structurally Characterized Metal (κ^2^N,P)-Phosphinohydrazides: The Key to Understanding the Intramolecular Rearrangement R~2~P‒NR'‒NR'‒M → R'N=PR~2~‒NR'‒M. Metalloderivatives of Diisopropylphosphinohydrazines: Synthesis and Properties
• Authors of publication: Kornev, Alexander N.; Belina, Natalia V.; Sushev, Vyacheslav V.; Fukin, Georgy K.; Baranov, Evgenii V.; Kurskiy, Yuriy A.; Poddelskii, Andrei I.; Abakumov, Gleb A.; Lönnecke, Peter; Hey-Hawkins, Evamarie
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5574 - 5583
• a: 9.4724 ± 0.0002 Å
• b: 9.4724 ± 0.0002 Å
• c: 41.7803 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3748.79 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338592
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No