Information card for entry 7018496

Structure parameters

• Formula: C22 H58 Cu N6 O24
• Calculated formula: C22 H50 Cu N6 O24
• Title of publication: Supramolecular isomers of metal-organic frameworks: the role of a new mixed donor imidazolate-carboxylate tetradentate ligand.
• Authors of publication: Richards, Victoria J.; Argent, Stephen P.; Kewley, Adam; Blake, Alexander J.; Lewis, William; Champness, Neil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4020 - 4026
• a: 9.3009 ± 0.0006 Å
• b: 10.5787 ± 0.0007 Å
• c: 11.2121 ± 0.0007 Å
• α: 92.593 ± 0.005°
• β: 97.681 ± 0.005°
• γ: 111.597 ± 0.006°
• Cell volume: 1011.17 ± 0.12 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No