Information card for entry 7050034

Structure parameters

• Formula: C40 H62 Cu2 N12 O27
• Calculated formula: C40 H32 Cu2 N12 O26
• Title of publication: A novel two-fold interpenetrating 3D 42.84 network self-assembled from a new 1D coordination polymer
• Authors of publication: Lu, Jack Y.; Fernandez, Wifredo A.; Ge, Zhenghua; Abboud, Khalil A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 434
• a: 14.3905 ± 0.0007 Å
• b: 42.019 ± 0.002 Å
• c: 42.158 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25492 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No