Information card for entry 4350216

Structure parameters

• Formula: C26 H22 Cu N2 O8
• Calculated formula: C26 H22 Cu N2 O8
• Title of publication: Stepwise guest adsorption with large hysteresis in a coordination polymer {[Cu(bhnq)(THF)2](THF)}n constructed from a flexible hingelike ligand.
• Authors of publication: Yamada, Koichi; Tanaka, Hirokazu; Yagishita, Sadahiro; Adachi, Keiichi; Uemura, Takashi; Kitagawa, Susumu; Kawata, Satoshi
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4322 - 4324
• a: 15.4329 ± 0.0007 Å
• b: 9.9712 ± 0.0004 Å
• c: 15.4584 ± 0.0006 Å
• α: 90°
• β: 97.763 ± 0.002°
• γ: 90°
• Cell volume: 2357.01 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No