Information card for entry 4089134

Structure parameters

• Formula: C40 H40 Ag4 Mo4 N4 O12
• Calculated formula: C40 H40 Ag4 Mo4 N4 O12
• SMILES: C1(=O)[Ag]2345C(=O)[Mo]678914(C#[O])([cH]1[cH]6[cH]7[cH]8[c]91N(C)C)[Ag]12[Ag]246([Ag]789%103(C(=O)[Mo]3%11%12%1358(C7=O)([cH]5[c]%13(N(C)C)[cH]%12[cH]%11[cH]35)C#[O])C(=O)[Mo]35786%10(C9=O)(C#[O])[cH]6[c]8(N(C)C)[cH]7[cH]5[cH]36)C(=O)[Mo]356714(C2=O)(C#[O])[cH]1[cH]3[cH]5[cH]6[c]71N(C)C
• Title of publication: Hexa- and Octanuclear Heterometallic Clusters with Copper‒, Silver‒, or Gold‒Molybdenum Bonds and d10‒d10Interactions
• Authors of publication: Croizat, Pierre; Sculfort, Sabrina; Welter, Richard; Braunstein, Pierre
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 23
• Pages of publication: 3949
• a: 12.014 ± 0.0003 Å
• b: 22.477 ± 0.0007 Å
• c: 17.002 ± 0.0005 Å
• α: 90°
• β: 97.068 ± 0.0016°
• γ: 90°
• Cell volume: 4556.3 ± 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: 0.1151
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No