Information card for entry 1505056

Structure parameters

• Formula: C32 H24 Ar1.04 Cu2 N2 O8
• Calculated formula: C32 H24 Ar1.02 Cu2 N2 O8
• Title of publication: Local Structure and Xenon Adsorption Behavior of Metal-Organic Framework System [M2(O2CPh)4(pyz)]n (M = Rh and Cu) As Studied with Use of Single-Crystal X-ray Diffraction, Adsorption Isotherm, and Xenon-129 NMR
• Authors of publication: Ueda, T.; Kurokawa, K.; Eguchi, T.; Kachi-Terajima, C.; Takamizawa, S.
• Journal of publication: Journal of Physical Chemistry C
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 3
• Pages of publication: 1524
• a: 18.396 ± 0.004 Å
• b: 9.702 ± 0.002 Å
• c: 19.188 ± 0.004 Å
• α: 90°
• β: 98.001 ± 0.005°
• γ: 90°
• Cell volume: 3391.3 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1652
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No