Information card for entry 4508912

Structure parameters

• Formula: C15 H14 Cu N3 O9.63
• Calculated formula: C15 H14 Cu N3 O9.63
• Title of publication: An (8,3)-a 3D Coordination Network and Concomitant Three-Connected Supramolecular Isomers
• Authors of publication: Luisi, Brian S.; Kravtsov, Victor Ch.; Moulton, Brian D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 2207
• a: 16.0503 ± 0.0015 Å
• b: 16.0503 ± 0.0015 Å
• c: 36.843 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8219.6 ± 1.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.2243
• Residual factor for significantly intense reflections: 0.1951
• Weighted residual factors for significantly intense reflections: 0.4607
• Weighted residual factors for all reflections included in the refinement: 0.4766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No