Information card for entry 4311729

Structure parameters

• Formula: C9 H4 Cu F4 O5
• Calculated formula: C9 H4 Cu F4 O5
• Title of publication: Rational Design and Crystal Structure Determination of a 3-D Metal-Organic Jungle-Gym-like Open Framework
• Authors of publication: Ryo Kitaura; Fumiyasu Iwahori; Ryotaro Matsuda; Susumu Kitagawa; Yoshiki Kubota; Masaki Takata; Tatsuo C. Kobayashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6522 - 6524
• a: 15.139 ± 0.004 Å
• b: 15.426 ± 0.009 Å
• c: 10.676 ± 0.001 Å
• α: 90°
• β: 131.27 ± 0.003°
• γ: 90°
• Cell volume: 1873.9 ± 1.2 ų
• Cell temperature: 273.2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.883
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No