Information card for entry 7031585

Structure parameters

• Chemical name: Bruker APEX-II CCD
• Formula: C48 H24 O37 Zn6
• Calculated formula: C48 H24 O37 Zn6
• Title of publication: A series of 3D metal organic frameworks based on [24-MC-6] metallacrown clusters: structure, magnetic and luminescence properties.
• Authors of publication: Wang, Kai; Zou, Hua-Hong; Chen, Zi-Lu; Zhang, Zhong; Sun, Wei-Yin; Liang, Fu-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 12989
• a: 22.283 ± 0.005 Å
• b: 22.283 ± 0.005 Å
• c: 22.283 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11064 ± 4 ų
• Cell temperature: 160.15 K
• Ambient diffraction temperature: 160.15 K
• Number of distinct elements: 4
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No