Information card for entry 7044058

Structure parameters

• Formula: C53.5 H35.5 Mg1.17 N3.5 O12 Zn1.83
• Calculated formula: C53.5 H35.5 Mg1.166 N3.5 O12 Zn1.834
• Title of publication: A series of Mg-Zn heterometallic coordination polymers: Synthesis, characterization and fluorescence sensing for Fe3+, CS2 and nitroaromatic compounds
• Authors of publication: Wu, Zhao-Feng; Huang, Xiao-ying
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.6831 ± 0.0005 Å
• b: 40.3319 ± 0.0015 Å
• c: 22.6181 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9745.5 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No