Information card for entry 4314856

Structure parameters

• Formula: C44 H36 Br4 Fe2 Hg2 N8 O4
• Calculated formula: C44 H36 Br4 Fe2 Hg2 N8 O4
• SMILES: [n]12cc(NC(=O)[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%104567[cH]4[cH]3[cH]8[cH]9[c]%104C(=O)Nc3c[n](ccc3)[Hg]([n]3cc(NC(=O)[c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[cH]5[cH]4[cH]9[cH]%10[c]%115C(=O)Nc4c[n](ccc4)[Hg]2(Br)Br)ccc3)(Br)Br)ccc1
• 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: 19.1194 ± 0.0011 Å
• b: 7.2281 ± 0.0004 Å
• c: 17.8588 ± 0.001 Å
• α: 90°
• β: 112.504 ± 0.001°
• γ: 90°
• Cell volume: 2280.1 ± 0.2 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: 0.0425
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No