Information card for entry 7201940

Structure parameters

• Formula: C102 H42 Au2 Cl2 P2
• Calculated formula: C102 H42 Au2 Cl2 P2
• SMILES: c1(ccc(cc1)C)[P]([Au]Cl)(c1ccc(cc1)C)c1ccc(cc1)C.c12c3c4c5c1c1c6c7c8c1c1c2c2c9c%10c%11c%12c%13c%10c%10c2c3c2c%10c3c%13c%10c%13c%12c%12c%14c%11c(c19)c8c%14c1c7c7c8c1c%12c%13c1c8c8c9c7c6c5c9c5c4c2c2c3c%10c1c8c52.c1(ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)[Au]Cl
• Title of publication: Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl
• Authors of publication: Schulz-Dobrick, Martin; Jansen, Martin
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 661
• a: 12.3426 ± 0.0002 Å
• b: 12.3426 ± 0.0002 Å
• c: 73.352 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9677.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No