Information card for entry 7108496

Structure parameters

• Formula: C54 H41 Co2 N21 O13
• Calculated formula: C54 H41 Co2 N21 O13
• Title of publication: Crystal surface mediated structure transformation of a kinetic framework composed of multi-interactive ligand TPHAP and Co(II)
• Authors of publication: Yumi Yakiyama; Akira Ueda; Yasushi Morita; Masaki Kawano
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10651
• a: 14.6913 ± 0.0003 Å
• b: 27.103 ± 0.0005 Å
• c: 8.2799 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3296.88 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 30
• Hermann-Mauguin space group symbol: P n c 2
• Hall space group symbol: P 2 -2bc
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No