Information card for entry 4315032

Structure parameters

• Formula: C39 H28 Ag3 Cu Mo4 O12
• Calculated formula: C39 H28 Ag3 Cu Mo4 O12
• SMILES: [Ag]12345[Ag]6789([Ag]%10([Mo]%11%12%13%147([cH]7[cH]%11[cH]%12[cH]%14[cH]%137)(C#[O])(C8=O)C9=O)[Mo]789%11%12%13([Cu]%14%153%10([Mo]3%10%16%172([cH]2[cH]%16[cH]%17[cH]%10[cH]32)(C#[O])(C%15=O)[C]%14=O)(C%13=O)C%11=O)([cH]2[cH]7[cH]8[cH]9[cH]%122)C#[O])[Mo]23781([cH]1[cH]2[cH]3[cH]8[cH]71)(C#[O])([C]56=O)C4=O.c1ccccc1C
• Title of publication: Heterometallic Chains and Clusters with Gold-Transition Metal Bonds: Synthesis and Interconversion
• Authors of publication: Sabrina Sculfort; Richard Welter; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2372 - 2382
• a: 17.5163 ± 0.0005 Å
• b: 12.3964 ± 0.0004 Å
• c: 22.1469 ± 0.0007 Å
• α: 90°
• β: 120.54 ± 0.02°
• γ: 90°
• Cell volume: 4141.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No