Information card for entry 7201578

Structure parameters

• Formula: C30 H36 Cu N6 O6
• Calculated formula: C30 H36 Cu N6 O6
• Title of publication: Interpenetrating three-dimensional coordination networks with a rare 4-connected (65.8) topology and unusual geometrical features
• Authors of publication: Plater, M. John; Gelbrich, Thomas; Hursthouse, Michael B.; De Silva, Ben M.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 125
• a: 15.8279 ± 0.0003 Å
• b: 10.5692 ± 0.0002 Å
• c: 18.4677 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3089.43 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No