Information card for entry 7206956

Structure parameters

• Formula: C36 H26 Fe3 N8 O9
• Calculated formula: C36 H24 Fe3 N8 O9
• Title of publication: Magnetic and luminescent properties of Cd(ii)- and Fe(ii)-anion radical frameworks: various networks or structures influenced by metal ion sizes or in situ forming mechanisms of anion radical ligand
• Authors of publication: Yong, Guo-Ping; Li, Ying-Zhou; Zhang, Yi-Man; She, Wen-Long
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1439
• a: 18.046 ± 0.004 Å
• b: 14.024 ± 0.003 Å
• c: 13.553 ± 0.003 Å
• α: 90°
• β: 90.2 ± 0.03°
• γ: 90°
• Cell volume: 3429.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2898
• Weighted residual factors for all reflections included in the refinement: 0.3076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No