Information card for entry 4314857

Structure parameters

• Formula: C46 H36 Fe2 N10 O4 S2 Zn
• Calculated formula: C46 H36 Fe2 N10 O4 S2 Zn
• 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: 14.0398 ± 0.0011 Å
• b: 13.6443 ± 0.0011 Å
• c: 10.5322 ± 0.0008 Å
• α: 90°
• β: 90.818 ± 0.001°
• γ: 90°
• Cell volume: 2017.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No