Information card for entry 2219463

Structure parameters

• Chemical name: Bis[1,4(η^5^)-cyclopentadienyl]hexakis(μ-diethyl phosphito)-1:2κ^6^P:O;3:4κ^6^O:P-μ-oxalato-2:3κ^4^O^1^,O^2^:O^1'^,O^2'^- dioxido-2κO,3κO-1,4-dicobalt(III)-2,3-divanadium(IV)
• Formula: C36 H70 Co2 O24 P6 V2
• Calculated formula: C36 H70 Co2 O24 P6 V2
• SMILES: C12C(=[O][V]34(O1)(O[P]([Co]1567([P](OCC)(OCC)O3)([P](OCC)(O4)OCC)[cH]3[cH]7[cH]6[cH]5[cH]13)(OCC)OCC)=O)O[V]13([O]=2)(=O)O[P]([Co]2456([P](OCC)(OCC)O1)([P](OCC)(OCC)O3)[cH]1[cH]6[cH]5[cH]4[cH]21)(OCC)OCC
• Title of publication: Bis{[(η^5^)-cyclopentadienyl]tris(diethyl phosphito-κ^3^<i>P</i>,<i>P</i>',<i>P</i>'')cobaltate(III)-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']oxovanadium(IV)}-μ-oxalate
• Authors of publication: McLauchlan, Craig C.; Anderson, Alexander E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1129 - m1130
• a: 28.364 ± 0.005 Å
• b: 10.9825 ± 0.0018 Å
• c: 19.976 ± 0.003 Å
• α: 90°
• β: 117.412 ± 0.002°
• γ: 90°
• Cell volume: 5524 ± 1.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes