Information card for entry 7108495

Structure parameters

• Formula: C57.28 H35 Co N19.31 O13.68
• Calculated formula: C57.277 H35 Co N19.321 O13.667
• 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: 29.0224 ± 0.0005 Å
• b: 8.4172 ± 0.0001 Å
• c: 27.4938 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6716.39 ± 0.17 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No