Information card for entry 4084774

Structure parameters

• Formula: C21 H40 Ni O3 P2 Si
• Calculated formula: C21 H40 Ni O3 P2 Si
• SMILES: [Ni]12([P](C(C)C)(C(C)C)Oc3c2c(ccc3)O[P]1(C(C)C)C(C)C)O[Si](C)(C)C
• 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: 15.3095 ± 0.0002 Å
• b: 17.2789 ± 0.0003 Å
• c: 20.0357 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5300.07 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No