Information card for entry 4112174

Structure parameters

• Chemical name: catena-(mu4-4,4'(hexafluoroisopropylidene)bis(benzenecarboxylato) -half(mu2-4,4'(hexafluoroisopropylidene)bis(benzoic acid)copper(II)
• Formula: C51 H26 Cu2 F18 O12
• Calculated formula: C51 H26 Cu2 F18 O12
• Title of publication: Microporous Metal Organic Materials: Promising Candidates as Sorbents for Hydrogen Storage
• Authors of publication: Long Pan; Michelle B. Sander; Xiaoying Huang; Jing Li; Milton Smith; Edward Bittner; Bradley Bockrath; J. Karl Johnson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1308 - 1309
• a: 18.723 ± 0.004 Å
• b: 7.271 ± 0.001 Å
• c: 20.481 ± 0.004 Å
• α: 90°
• β: 107.02 ± 0.03°
• γ: 90°
• Cell volume: 2666.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No