Information card for entry 7206609

Structure parameters

• Formula: C24 H22 Co N4 O12 V4
• Calculated formula: C24 H22 Co N4 O12 V4
• Title of publication: {Co(HBpe)2}(V4O12): pedal motion induced order‒disorder P1̄\ρightarrow C1̄ transition and disrupted C1̄→C2/m displacive transition due to thermal instability
• Authors of publication: Fernández de Luis, Roberto; Urtiaga, M. Karmele; Mesa, José L.; Segura, Joseba Orive Gómez de; Rojo, Teófilo; Arriortua, María I.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 6488
• a: 15.456 ± 0.003 Å
• b: 12.141 ± 0.003 Å
• c: 7.915 ± 0.005 Å
• α: 89.727 ± 0.018°
• β: 95.358 ± 0.018°
• γ: 90.177 ± 0.017°
• Cell volume: 1478.7 ± 1 ų
• Cell temperature: 503 ± 2 K
• Ambient diffraction temperature: 503 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: C -1
• Hall space group symbol: -P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No