Information card for entry 4101821

Structure parameters

• Formula: C8 H4 Cl Fe O5
• Calculated formula: C8 Cl Fe O5
• Title of publication: Functionalization in Flexible Porous Solids: Effects on the Pore Opening and the Host-Guest Interactions
• Authors of publication: Thomas Devic; Patricia Horcajada; Christian Serre; Fabrice Salles; Guillaume Maurin; Béatrice Moulin; Daniela Heurtaux; Guillaume Clet; Alexandre Vimont; Jean-Marc Grenèche; Benjamin Le Ouay; Florian Moreau; Emmanuel Magnier; Yaroslav Filinchuk; Jerôme Marrot; Jean-Claude Lavalley; Marco Daturi; Gérard Férey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1127 - 1136
• a: 18.4 ± 0.02 Å
• b: 6.935 ± 0.007 Å
• c: 11.075 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1413 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.1781
• Residual factor for significantly intense reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.254
• Weighted residual factors for all reflections included in the refinement: 0.2881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No