Information card for entry 7205660

Structure parameters

• Formula: C30 H10 Cu2 N2 O14
• Calculated formula: C30 H10 Cu2 N2 O14
• Title of publication: Cocrystal controlled solid-state synthesis of a rigid tetracarboxylate ligand that pillars both square grid and Kagomé lattice layers
• Authors of publication: Perman, Jason A.; Cairns, Amy J.; Wojtas, Łukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3130
• a: 32.461 ± 0.012 Å
• b: 18.024 ± 0.006 Å
• c: 19.748 ± 0.007 Å
• α: 90°
• β: 119.964 ± 0.009°
• γ: 90°
• Cell volume: 10010 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1634
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No