Information card for entry 7013460

Structure parameters

• Common name: (NiCl2(R,R-chiraphos))
• Chemical name: [NiCl2(R,R-chiraphos)]
• Formula: C28 H28 Cl2 Ni P2
• Calculated formula: C28 H28 Cl2 Ni P2
• SMILES: [Ni]1(Cl)(Cl)[P]([C@H](C)[C@H]([P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Schulz‒Flory oligomerisation of ethylene by the binuclear nickel(II) complex Ni2Cl4[cis,trans,cis-1,2,3,4-tetrakis-(diphenylphosphino)cyclobutane]
• Authors of publication: Claudio Bianchini; Luca Gonsalvi; Werner Oberhauser; David Sémeril; Peter Brüggeller; Rene Gutmann
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 20
• Pages of publication: 3869 - 3875
• a: 7.7509 ± 0.0001 Å
• b: 17.4206 ± 0.0002 Å
• c: 9.714 ± 0.0005 Å
• α: 90°
• β: 102.218 ± 0.001°
• γ: 90°
• Cell volume: 1281.93 ± 0.07 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• 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: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No