Information card for entry 7201581

Structure parameters

• Formula: C68 H90 Cu2 N12 O13
• Calculated formula: C68 H88 Cu2 N12 O13
• 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: 10.1288 ± 0.0006 Å
• b: 21.0031 ± 0.0014 Å
• c: 16.3702 ± 0.001 Å
• α: 90°
• β: 90.961 ± 0.002°
• γ: 90°
• Cell volume: 3482 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1517
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No