Information card for entry 4084778

Structure parameters

• Formula: C18 H31 N3 Ni O2 P2
• Calculated formula: C18 H31 N3 Ni O2 P2
• SMILES: [Ni]12([P](C(C)C)(C(C)C)Oc3c2c(ccc3)O[P]1(C(C)C)C(C)C)N=N#N
• Title of publication: POCOP-Ligated Nickel Siloxide Complexes: Syntheses, Characterization, and Reactivities
• Authors of publication: Hao, Jingjun; Vabre, Boris; Zargarian, Davit
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6568
• a: 7.7256 ± 0.0003 Å
• b: 11.7638 ± 0.0004 Å
• c: 11.8184 ± 0.0004 Å
• α: 90°
• β: 94.969 ± 0.002°
• γ: 90°
• Cell volume: 1070.05 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No