Information card for entry 7006275

Structure parameters

• Formula: C30 H52 Ni P4
• Calculated formula: C30 H52 Ni P4
• SMILES: c1(c(cc(cc1C)C)C)P1P(c2c(cc(cc2C)C)C)[Ni]1([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Oxidative cleavage of tetraaryltetraphosphane-1,4-diides by nickel(II) and palladium(II): formation of unusual Ni(0) and Pd(0) diaryldiphosphene complexes.
• Authors of publication: Gómez-Ruiz, Santiago; Hey-Hawkins, Evamarie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5678 - 5683
• a: 18.6263 ± 0.001 Å
• b: 15.3768 ± 0.0009 Å
• c: 22.9378 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6569.7 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• 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: 0.0527
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No