Information card for entry 4508686

Structure parameters

• Formula: C10 H10 Cu N2 O5
• Calculated formula: C10 H10 Cu N2 O5
• Title of publication: Metal−Organic Framework Diversity via Heterocoordination of a Multifunctional Ligand: SrAl2and a Novel (3,4)-Connected Network
• Authors of publication: Eubank, Jarrod F.; Walsh, Rosa D.; Poddar, Pankaj; Srikanth, Hariharan; Larsen, Randy W.; Eddaoudi, Mohamed
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1453
• a: 7.3361 ± 0.001 Å
• b: 10.7496 ± 0.0015 Å
• c: 14.028 ± 0.002 Å
• α: 90°
• β: 90.778 ± 0.003°
• γ: 90°
• Cell volume: 1106.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No