Information card for entry 4315034

Structure parameters

• Formula: C56 H50 Cu4 Mo6 Na2 O22
• Calculated formula: C56 H50 Cu4 Mo6 Na2 O22
• SMILES: [Mo]12345678([Cu]9%10%11%12%13[Mo]%14%15%16%17(C#[O])(C%12=[O][Na]%12%18%19%20([O]=[C]2%10[Cu]2%10%2119([Mo]19%22%23(C%10=[O]%12)(C%21=[O][Na]%10%12%21([O]=C32)([O]=[C]23[Mo]%24%25%26%27%28%29%30([Cu]%31%32%332([Mo]2%34%35%36(C#[O])(C%32=[O]%10)(C%33=O)[cH]%10[cH]2[cH]%34[cH]%35[cH]%36%10)[Cu]2%103%24([Mo]3%24%32%33(C2=[O]%12)(C%10=[O]%20)(C#[O])[cH]2[cH]3[cH]%24[cH]%32[cH]%332)(C%25=[O]%19)[C]%26%31=O)[cH]2[cH]%27[cH]%28[cH]%29[cH]%302)[O](C)CC[O]%21C)(C#[O])[cH]2[cH]1[cH]9[cH]%22[cH]%232)[C]4%11=O)[O](C)CC[O]%18C)(C%13=O)[cH]1[cH]%14[cH]%15[cH]%16[cH]%171)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 11.384 ± 0.0004 Å
• b: 12.086 ± 0.0004 Å
• c: 12.321 ± 0.0006 Å
• α: 85.397 ± 0.0012°
• β: 68.486 ± 0.0015°
• γ: 89.314 ± 0.0012°
• Cell volume: 1571.74 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No