Information card for entry 7018493

Structure parameters

• Formula: C22 H34 Co N6 O12
• Calculated formula: C22 H33.22 Co N6 O12
• 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: 11.4211 ± 0.0003 Å
• b: 8.5517 ± 0.0002 Å
• c: 13.4463 ± 0.0003 Å
• α: 90°
• β: 93.083 ± 0.002°
• γ: 90°
• Cell volume: 1311.4 ± 0.05 ų
• Cell temperature: 90.15 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No