Information card for entry 2201541

Structure parameters

• Formula: C71 H71 Ni P4
• Calculated formula: C56 H56 Ni P4
• SMILES: [Ni]12([P](c3ccccc3)(c3ccccc3)CCCC[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CCCC[P]2(c1ccccc1)c1ccccc1
• Title of publication: The tetrahedral tetrakis(phosphine) complex [bis(diphenylphosphino)butane-κ<i>P,P</i>]nickel(0)‒benzene (1/2.5)
• Authors of publication: Alison J. Edwards; Mikael Retbøll; Eric Wenger
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m375 - m377
• a: 19.9938 ± 0.0005 Å
• b: 11.7063 ± 0.0004 Å
• c: 27.1914 ± 0.0009 Å
• α: 90°
• β: 111.514 ± 0.0013°
• γ: 90°
• Cell volume: 5920.8 ± 0.3 ų
• Cell temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes