Information card for entry 1505763

Structure parameters

• Formula: C27 H36 Cu N4 O11 S2
• Calculated formula: C27 H36 Cu N4 O11 S2
• Title of publication: Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration.
• Authors of publication: Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 51
• Pages of publication: 25565 - 25567
• a: 7.89 ± 0.005 Å
• b: 15.945 ± 0.005 Å
• c: 13.063 ± 0.005 Å
• α: 90 ± 0.005°
• β: 94.588 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1638.1 ± 1.3 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No