Information card for entry 2205755

Structure parameters

• Chemical name: μ^2^-Diphosphorus(P—P)-1:2κ^2^P,P;1:2κ^2^P',P' bis[η^5^-ethoxycarbonylcyclopentadienyl]- bis(carbonyl-1κC)bis(carbonyl-2κC)dimolybdenum(I)(Mo—Mo)]
• Formula: C20 H18 Mo2 O8 P2
• Calculated formula: C20 H18 Mo2 O8 P2
• SMILES: [Mo]123456([Mo]789%10%11([P]1=[P]27)(C#[O])(C#[O])[c]1([cH]8[cH]9[cH]%10[cH]%111)C(=O)OCC)(C#[O])(C#[O])[c]1([cH]3[cH]4[cH]5[cH]61)C(=O)OCC
• Title of publication: μ~2~-Diphosphorus(P—P)-1:2κ^2^<i>P</i>,<i>P</i>;1:2κ^2^<i>P</i>',<i>P</i>'-bis[η^5^-ethoxycarbonylcyclopentadienyl]-bis(carbonyl-1κ<i>C</i>)bis(carbonyl-2κ<i>C</i>)dimolybdenum(I)(Mo—Mo)]
• Authors of publication: Yao-Cheng Shi; Bei-Bei Zhu; Rong Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m844 - m845
• a: 25.705 ± 0.009 Å
• b: 7.912 ± 0.004 Å
• c: 24.636 ± 0.008 Å
• α: 90°
• β: 112.742 ± 0.008°
• γ: 90°
• Cell volume: 4621 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes