Information card for entry 7212114

Structure parameters

• Formula: C54 H43 Cl2 Fe N13
• Calculated formula: C54 H43 Cl2 Fe N13
• Title of publication: A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties
• Authors of publication: Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1422
• a: 8.5305 ± 0.0008 Å
• b: 10.6074 ± 0.001 Å
• c: 14.4874 ± 0.0013 Å
• α: 92.912 ± 0.002°
• β: 92.474 ± 0.002°
• γ: 104.149 ± 0.002°
• Cell volume: 1267.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1641
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No