Information card for entry 7203194

Structure parameters

• Formula: C33.32 H30.28 Au2 Cl2 N O3.32 P2
• Calculated formula: C33 H29 Au2 Cl2 N O3 P2
• SMILES: [Au](Cl)[P](CN(C[P]([Au]Cl)(c1ccccc1)c1ccccc1)c1c(O)c(ccc1)C(=O)O)(c1ccccc1)c1ccccc1
• Title of publication: Isomeric dinuclear gold(i) complexes with highly functionalised ditertiary phosphines: Self-assembly of dimers, rings and 1-D polymeric chains
• Authors of publication: Smith, Martin B.; Dale, Sophie H.; Coles, Simon J.; Gelbrich, Thomas; Hursthouse, Michael B.; Light, Mark E.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 140
• a: 10.0711 ± 0.0002 Å
• b: 17.7756 ± 0.0004 Å
• c: 19.7048 ± 0.0005 Å
• α: 90°
• β: 101.616 ± 0.001°
• γ: 90°
• Cell volume: 3455.3 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No