Information card for entry 4331763

Structure parameters

• Common name: h03prr6
• Formula: C52 H36 Au2 O P2
• Calculated formula: C52 H36 Au2 O P2
• SMILES: c12c(cccc1c1c(c(ccc1)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1ccccc1)o2)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1ccccc1
• Title of publication: A New Type of Luminescent Alkynyl Au4Cu2Cluster†
• Authors of publication: de la Riva, Héctor; Nieuwhuyzen, Mark; Mendicute Fierro, Claudio; Raithby, Paul R.; Male, Louise; Lagunas, M. Cristina
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1418 - 1420
• a: 11.5165 ± 0.0001 Å
• b: 18.0618 ± 0.0002 Å
• c: 19.6211 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4081.36 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No