Information card for entry 2209789

Structure parameters

• Chemical name: Bis[(1H-inden-3-ylcyclopentyl)-η^5^- cyclopentadienyl]hexacarbonyldimolydenum(I)(Mo—Mo)
• Formula: C44 H38 Mo2 O6
• Calculated formula: C44 H38 Mo2 O6
• SMILES: [Mo]1234(C#[O])(C#[O])(C#[O])[cH]5[c]4([cH]3[cH]2[cH]15)C1(CCCC1)C1=CCc2ccccc12
• Title of publication: Bis{[1-(1<i>H</i>-inden-3-yl)cyclopentyl]-η^5^-cyclopentadienyl}hexacarbonyldimolydenum(I)(<i>Mo{—</i>Mo})
• Authors of publication: Lin, Jin; Song, Hai-Bin; Xu, Shan-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1861 - m1862
• a: 19.038 ± 0.004 Å
• b: 7.7015 ± 0.0016 Å
• c: 13.091 ± 0.003 Å
• α: 90°
• β: 108.134 ± 0.003°
• γ: 90°
• Cell volume: 1824.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes