Information card for entry 7032126

Structure parameters

• Common name: Cu-kagome-DS
• Formula: C38 H24 Cl2 Cu3 N6 O14
• Calculated formula: C38 H24 Cl1.92 Cu3 N6 O13.68
• Title of publication: Multifunctional MOFs through CO2 fixation: a metamagnetic kagome lattice with uniaxial zero thermal expansion and reversible guest sorption.
• Authors of publication: Keene, Tony D.; Murphy, Michael J.; Price, Jason R.; Sciortino, Natasha F.; Southon, Peter D.; Kepert, Cameron J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14766 - 14771
• a: 9.2577 ± 0.0003 Å
• b: 9.2577 ± 0.0003 Å
• c: 13.5853 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1008.34 ± 0.06 ų
• Cell temperature: 350 ± 2 K
• Ambient diffraction temperature: 350 ± 2 K
• Number of distinct elements: 6
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No