Information card for entry 4082262

Structure parameters

• Formula: C20 H36 Ni O2 P2
• Calculated formula: C20 H36 Ni O2 P2
• SMILES: [Ni]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)CC
• Title of publication: New Pincer-Type Diphosphinito (POCOP) Complexes of Nickel
• Authors of publication: Pandarus, Valerica; Zargarian, Davit
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4321
• a: 9.7318 ± 0.0002 Å
• b: 16.9949 ± 0.0004 Å
• c: 14.0405 ± 0.0003 Å
• α: 90°
• β: 103.733 ± 0.001°
• γ: 90°
• Cell volume: 2255.79 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No