Information card for entry 4082263

Structure parameters

• Formula: C18 H31 Cl Ni O2 P2
• Calculated formula: C18 H31 Cl Ni O2 P2
• SMILES: [Ni]12(Cl)[P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C
• 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: 12.9455 ± 0.0002 Å
• b: 12.9983 ± 0.0002 Å
• c: 13.4011 ± 0.0002 Å
• α: 78.455 ± 0.001°
• β: 76.121 ± 0.001°
• γ: 87.062 ± 0.001°
• Cell volume: 2144.86 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0935
• 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