Information card for entry 7005182

Structure parameters

• Formula: C20 H56 K4 Nb6 O33 Ru2
• Calculated formula: C20 H28 K4 Nb6 O33 Ru2
• SMILES: [Ru]123456789%10([Nb]%11%12%13%14%15%16%17%18([Nb]%19%20%21%22%23%24%25([Ru]%26%27%28%29%30%31%32%33%34([Nb]%35%36%37%38%39%40%19([Nb]%19%41%11%20%26([Nb]%11%201%12%35([Nb]2%13%21%36([O]%14%22%37%19%11)(O%39)(O%23)([O]4%18)([O]5%20)=O)(O%41)(O%38)([O]3%17)=O)(=O)(O%15)([O]%25%28)[O]%29%40)([O]%24%27)=O)[c]1([cH]%34[cH]%33[c]%32([cH]%31[cH]%301)C(C)C)C)(=O)O%16)=O)[c]1([cH]%10[cH]9[c]8([cH]7[cH]61)C(C)C)C.[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and reactivity of {Ru(p-cymene)}2+ derivatives of [Nb6O19]8-: a rational approach towards fluxional organometallic derivatives of polyoxometalates.
• Authors of publication: Laurencin, Danielle; Thouvenot, René; Boubekeur, Kamal; Proust, Anna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 13
• Pages of publication: 1334 - 1345
• a: 9.452 ± 0.0006 Å
• b: 14.333 ± 0.0017 Å
• c: 20.2351 ± 0.0019 Å
• α: 103.546 ± 0.008°
• β: 99.832 ± 0.007°
• γ: 95.962 ± 0.005°
• Cell volume: 2596.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No