Information card for entry 7013459

Structure parameters

• Common name: (Ni2Cl4(cyclo-tetraphos))
• Chemical name: [Ni2Cl4(cyclo-tetraphos)]
• Formula: C58 H58 Cl4 N2 Ni2 O2 P4
• Calculated formula: C58 H58 Cl4 N2 Ni2 O2 P4
• SMILES: C(=O)N(C)C.[P]1(c2ccccc2)([Ni](Cl)([P](C2C1C1C2[P](c2ccccc2)(c2ccccc2)[Ni]([P]1(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1)Cl)c1ccccc1.C(=O)N(C)C
• 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: 12.018 ± 0.002 Å
• b: 18.891 ± 0.004 Å
• c: 13.241 ± 0.003 Å
• α: 90°
• β: 108.53 ± 0.03°
• γ: 90°
• Cell volume: 2850.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1028
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No