Information card for entry 2203804

Structure parameters

• Chemical name: (2-Methylbenzimidaxolyl-κN)(triphenylphosphine-κP)gold(I) hemihydrate
• Formula: C26 H23 Au N2 O0.5 P
• Calculated formula: C26 H23 Au N2 O0.5 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)n1c2ccccc2nc1C.O
• Title of publication: (2-Methylbenzimidazolyl-κ<i>N</i>)(triphenylphosphine-κ<i>P</i>)gold(I) hemihydrate
• Authors of publication: Li, Dan; Wu, Tao; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m728 - m729
• a: 26.2518 ± 0.0009 Å
• b: 9.3899 ± 0.0004 Å
• c: 18.496 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4559.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes