Information card for entry 7000358

Structure parameters

• Formula: C32 H27 Ni P
• Calculated formula: C32 H27 Ni P
• SMILES: [Ni]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)(C#Cc5ccc(cc5)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Transition metal alkynyl complexes by transmetallation from Au(CCAr)(PPh3) (Ar = C6H5 or C6H4Me-4)
• Authors of publication: Khairul, Wan M.; Fox, Mark A.; Zaitseva, Natasha N.; Gaudio, Maryka; Yufit, Dmitry S.; Skelton, Brian W.; White, Allan H.; Howard, Judith A. K.; Bruce, Michael I.; Low, Paul J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 4
• Pages of publication: 610
• a: 14.1937 ± 0.0004 Å
• b: 12.6191 ± 0.0004 Å
• c: 14.9549 ± 0.0004 Å
• α: 90°
• β: 110.05 ± 0.01°
• γ: 90°
• Cell volume: 2516.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No