Information card for entry 4510240

Structure parameters

• Formula: C46 H71 Fe3 N4 O30.5
• Calculated formula: C46 H42 Fe3 N4 O30.5
• Title of publication: Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties
• Authors of publication: Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2307
• a: 24.104 ± 0.002 Å
• b: 13.054 ± 0.0009 Å
• c: 21.009 ± 0.0016 Å
• α: 90°
• β: 124.662 ± 0.01°
• γ: 90°
• Cell volume: 5437.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1181
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No