Information card for entry 1505764

Structure parameters

• Formula: C52 H72 Cu2 N8 O22 S4
• Calculated formula: C52 H72 Cu2 N8 O22 S4
• 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: 24.3572 ± 0.0008 Å
• b: 7.9688 ± 0.0002 Å
• c: 17.4501 ± 0.0006 Å
• α: 90°
• β: 105.172 ± 0.001°
• γ: 90°
• Cell volume: 3268.97 ± 0.18 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No