Information card for entry 7214101

Structure parameters

• Formula: C174 H287 Co8 N21 O119 Zr18
• Calculated formula: C174 H287 Co8 N21 O119 Zr18
• Title of publication: Solid-state coexistence of {Zr12} and {Zr6} zirconium oxocarboxylate clusters
• Authors of publication: Malaestean, Iurie L.; Alıcı, Meliha Kutluca; Besson, Claire; Ellern, Arkady; Kögerler, Paul
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 43
• a: 36.819 ± 0.004 Å
• b: 31.046 ± 0.003 Å
• c: 28.384 ± 0.005 Å
• α: 90°
• β: 123.688 ± 0.001°
• γ: 90°
• Cell volume: 26997 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1198
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1916
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No