Information card for entry 7202815

Structure parameters

• Formula: C38 H24 Cu2 N2 O8
• Calculated formula: C38 H24 Cu2 N2 O8
• Title of publication: A pillared-grid MOF with large pores based on the Cu2(O2CR)4 paddle-wheel
• Authors of publication: Pichon, Anne; Fierro, Claudio Mendicute; Nieuwenhuyzen, Mark; James, Stuart L.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 449
• a: 13.941 ± 0.003 Å
• b: 15.075 ± 0.003 Å
• c: 15.075 ± 0.003 Å
• α: 82.15 ± 0.03°
• β: 87.23 ± 0.03°
• γ: 87.23 ± 0.03°
• Cell volume: 3132 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.2103
• Residual factor for significantly intense reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.3683
• Weighted residual factors for all reflections included in the refinement: 0.4106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No