Information card for entry 4068633

Structure parameters

• Formula: C30 H22 Au N2 P
• Calculated formula: C30 H22 Au N2 P
• SMILES: [Au](C#Cc1ccc(nc1)c1ncccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes
• Authors of publication: Koutsantonis, George A.; Jenkins, Gareth I.; Schauer, Phil A.; Szczepaniak, Barbara; Skelton, Brian W.; Tan, Colin; White, Allan H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2195
• a: 10.302 ± 0.0008 Å
• b: 10.797 ± 0.0008 Å
• c: 13.322 ± 0.001 Å
• α: 73.859 ± 0.002°
• β: 67.542 ± 0.002°
• γ: 68.014 ± 0.002°
• Cell volume: 1253.99 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No