Information card for entry 7702487

Structure parameters

• Formula: C48 H67 B Ni P2
• Calculated formula: C48 H67 B Ni P2
• Title of publication: Structural characterisation of cationic methylallyl, methylindenyl and pentamethylcyclopentadienyl nickel complexes containing the bulky phosphine 1,2-bis(diisopropylphosphino)ethane †
• Authors of publication: Tenorio, Manuel Jiménez; Puerta, M. Carmen; Salcedo, Isabel; Valerga, Pedro
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 653
• a: 14.207 ± 0.004 Å
• b: 21.302 ± 0.005 Å
• c: 14.514 ± 0.004 Å
• α: 90°
• β: 100.72 ± 0.02°
• γ: 90°
• Cell volume: 4316 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• 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: 0.1382
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.2954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No