Information card for entry 7104060

Structure parameters

• Formula: C22 H24 Cu2 N2 O13
• Calculated formula: C22 H24 Cu2 N2 O12.599
• Title of publication: A 3D metal-organic network, [Cu2(glutarate)2(4,4'-bipyridine)], that exhibits single-crystal to single-crystal dehydration and rehydration.
• Authors of publication: Rather, Beth; Zaworotko, Michael J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 830 - 831
• a: 23.911 ± 0.003 Å
• b: 11.8685 ± 0.0015 Å
• c: 9.2063 ± 0.0012 Å
• α: 90°
• β: 90.35 ± 0.002°
• γ: 90°
• Cell volume: 2612.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7113569
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No