Information card for entry 2225155

Structure parameters

• Common name: tris(<i>trans</i>-1,2-bis(4-pyridinio)ethene) decavanadate dihydrate
• Chemical name: tris[4,4'-(ethene-1,2-diyl)dipyridinium] decavanadate dihydrate
• Formula: C36 H40 N6 O30 V10
• Calculated formula: C36 H40 N6 O30 V10
• SMILES: C(=C\c1cc[nH+]cc1)/c1cc[nH+]cc1.[nH+]1ccc(cc1)/C=C/c1cc[nH+]cc1.O=[V]1234[O]5[V]678([O]1[V]19%10%11[O]%12[V]%13%14%15([O]%16[V]%17%185(O[V]5%19(O7)(O[V]7%12%16(O[V](O6)([O]89%1757)(O%11)(=O)O%19)=O)=O)[O]54%10%13[V](O3)(O1)(O[V]5(O2)(O%18)(O%14)=O)(O%15)=O)=O)=O.O.c1cc(cc[nH+]1)/C=C/c1cc[nH+]cc1.O
• Title of publication: Tris[4,4'-(ethene-1,2-diyl)dipyridinium] decavanadate dihydrate
• Authors of publication: Fernandez de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José Luis; Arriortua, María I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m323 - m324
• a: 9.7343 ± 0.0004 Å
• b: 11.7754 ± 0.0005 Å
• c: 12.2311 ± 0.0005 Å
• α: 113.072 ± 0.004°
• β: 105.396 ± 0.004°
• γ: 93.171 ± 0.003°
• Cell volume: 1223.33 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes