Information card for entry 7114241

Structure parameters

• Common name: Cu(NO3)2(C14H10N2)(H2O)2*0.5(C12H10N2)
• Formula: C20 H17 Cu N5 O8
• Calculated formula: C20 H17 Cu N5 O8
• Title of publication: Organic/inorganic supramolecular channel frameworks containing a photosensitive azobenzene molecule as an included guest
• Authors of publication: Zaman, Md. Badruz; Udachin, Konstantin; Akhtaruzzaman, Md.; Yamashita, Yoshiro; Ripmeester, John A.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 20
• Pages of publication: 2322
• a: 15.687 ± 0.001 Å
• b: 7.842 ± 0.001 Å
• c: 17.256 ± 0.001 Å
• α: 90 ± 0.01°
• β: 90.41 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 2122.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No