Information card for entry 7050419

Structure parameters

• Formula: C16 H10 Fe2 Mo O6 S2
• Calculated formula: C16 H10 Fe2 Mo O6 S2
• SMILES: [Mo]123456789([S]%10[Fe]%11([Fe]%10([S]1%11)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([cH]1[cH]2[cH]5[cH]6[cH]81)[cH]1[cH]3[cH]4[cH]9[cH]71
• Title of publication: Thin films by metal organic deposition of Fe‒Mo‒S molecular clusters: synthesis and crystal structure of [Cp2MoFe2(µ3-S)2(CO)6]
• Authors of publication: Auvray, Nicolas; Braunstein, Pierre; Mathur, Sanjay; Veith, Michael; Shen, Hao; Hüfner, Stefan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 155
• a: 8.217 ± 0.005 Å
• b: 13.703 ± 0.005 Å
• c: 16.31 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.176 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1835.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No