Information card for entry 7001840

Structure parameters

• Formula: C48 H60 Cl6 Co3 N12
• Calculated formula: C48 H60 Cl6 Co3 N12
• Title of publication: A catenated imidazole-based coordination polymer exhibiting significant CO2 sorption at low pressure
• Authors of publication: Willans, Charlotte E.; French, Sara; Barbour, Leonard J.; Gertenbach, Jan-André; Junk, Peter C.; Lloyd, Gareth O.; Steed, Jonathan W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 33
• Pages of publication: 6480 - 6482
• a: 40.1816 ± 0.0008 Å
• b: 15.0535 ± 0.0003 Å
• c: 11.1487 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6743.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 46
• Hermann-Mauguin space group symbol: I m a 2
• Hall space group symbol: I 2 -2a
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No