Information card for entry 7105619

Structure parameters

• Formula: C42 H48 N4 O12 Zn2
• Calculated formula: C42 H50 N4 O12 Zn2
• Title of publication: A new ligand for metal-organic framework and co-crystal synthesis: mechanochemical route to rctt-1,2,3,4-tetrakis-(4'-carboxyphenyl)-cyclobutane.
• Authors of publication: Kole, Goutam Kumar; Koh, Lip Lin; Lee, So Young; Lee, Shim Sung; Vittal, Jagadese J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 3660 - 3662
• a: 11.36 ± 0.004 Å
• b: 14.155 ± 0.004 Å
• c: 14.435 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2321.2 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2526
• Weighted residual factors for all reflections included in the refinement: 0.264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No