Information card for entry 4342235

Structure parameters

• Formula: C12.56 H9.76 O7 V
• Calculated formula: C12.56 H8.8 O7 V
• Title of publication: Two Distinct Redox Intercalation Reactions of Hydroquinone with Porous Vanadium Benzenedicarboxylate MIL-47.
• Authors of publication: Kaveevivitchai, Watchareeya; Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1822 - 1828
• a: 12.6011 ± 0.0013 Å
• b: 17.2874 ± 0.0018 Å
• c: 13.7364 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2992.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No