Information card for entry 7032125

Structure parameters

• Common name: Cu-kagome-H2O
• Formula: C38 H24 Cl2 Cu3 N6 O15
• Calculated formula: C38 H24 Cl1.92 Cu3 N6 O14.64
• 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: 9.2 ± 0.0002 Å
• b: 9.2 ± 0.0002 Å
• c: 13.6033 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 997.13 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No