Information card for entry 4089135

Structure parameters

• Formula: C40 H40 Au4 Mo4 N4 O12
• Calculated formula: C40 H40 Au4 Mo4 N4 O12
• SMILES: C1(=O)[Au]2345C(=O)[Mo]678914(C#[O])([cH]1[c]9([cH]8[cH]7[cH]61)N(C)C)[Au]12[Au]246([Au]783(C(=O)[Mo]39%10%1157(C#[O])([cH]5[cH]3[cH]9[cH]%10[c]%115N(C)C)C#[O])C(=O)[Mo]357968(C#[O])(C#[O])[cH]6[cH]3[cH]5[cH]7[c]96N(C)C)C(=O)[Mo]356714(C2=O)(C#[O])[cH]1[c]7([cH]6[cH]5[cH]31)N(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: 11.941 ± 0.002 Å
• b: 22.609 ± 0.005 Å
• c: 16.995 ± 0.004 Å
• α: 90°
• β: 97.402 ± 0.01°
• γ: 90°
• Cell volume: 4550 ± 1.7 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: 0.0786
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No