Information card for entry 7114444

Structure parameters

• Formula: C8 H4 Cl0.33 O8.33 V
• Calculated formula: C8 H4 Cl0.33 O8.33667 V
• Title of publication: [VIII(H2O)]3O(O2CC6H4CO2)3·(Cl, 9H2O) (MIL-59): a rare example of vanadocarboxylate with a magnetically frustrated three-dimensional hybrid framework
• Authors of publication: Barthelet, K.; Riou, D.; Férey, G.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 1492
• a: 19.2907 ± 0.0001 Å
• b: 19.2907 ± 0.0001 Å
• c: 19.2907 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7178.67 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.1238
• Goodness-of-fit parameter for all reflections: 1.14
• Goodness-of-fit parameter for significantly intense reflections: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No