Information card for entry 1505058

Structure parameters

• Formula: C32 H24 Cu2 N2 O8 Xe2
• Calculated formula: C32 H24 Cu2 N2 O8 Xe2
• SMILES: C1(c2ccccc2)=[O][Cu]234OC(c5ccccc5)=[O][Cu]4(O1)([n]1cc[n](cc1)[Cu]1456[O]=C(c7ccccc7)O[Cu]6(OC(c6ccccc6)=[O]1)([n]1ccncc1)([O]=C(c1ccccc1)O4)[O]=C(c1ccccc1)O5)([O]=C(c1ccccc1)O2)OC(c1ccccc1)=[O]3.[Xe].[Xe].[Xe].[Xe]
• 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: 9.74 ± 0.006 Å
• b: 10.471 ± 0.007 Å
• c: 10.867 ± 0.007 Å
• α: 70.741 ± 0.012°
• β: 65.519 ± 0.012°
• γ: 63.558 ± 0.013°
• Cell volume: 888.7 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2329
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.2504
• Weighted residual factors for all reflections included in the refinement: 0.2867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No