Information card for entry 4315029

Structure parameters

• Formula: C24 H30 Cu Mo2 Na O10
• Calculated formula: C24 H30 Cu Mo2 Na O10
• SMILES: C1(=[O]2)[Cu]345(C(=O)[Mo]678915(C#[O])[cH]1[cH]8[cH]7[cH]6[cH]91)C(=O)[Mo]15674(C#[O])([cH]4[cH]6[cH]5[cH]7[cH]14)C3=[O][Na]213([O](C)CC[O]1C)[O](C)CC[O]3C
• 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: 20.7774 ± 0.0007 Å
• b: 10.8479 ± 0.0004 Å
• c: 14.3734 ± 0.0006 Å
• α: 90°
• β: 114.164 ± 0.002°
• γ: 90°
• Cell volume: 2955.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No