Information card for entry 4314859

Structure parameters

• Formula: C44 H36 Br2 Cd Fe2 N8 O4
• Calculated formula: C44 H36 Br2 Cd Fe2 N8 O4
• Title of publication: Heterobimetallic Metal-Complex Assemblies Constructed from the Flexible Arm-Like Ligand 1,1'-Bis[(3-pyridylamino)carbonyl]ferrocene: Structural Versatility in the Solid State
• Authors of publication: Kai-Ju Wei; Jia Ni; Yangzhong Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1834 - 1848
• a: 13.9008 ± 0.0014 Å
• b: 13.6615 ± 0.0014 Å
• c: 10.6017 ± 0.0011 Å
• α: 90°
• β: 90.593 ± 0.002°
• γ: 90°
• Cell volume: 2013.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No