Information card for entry 4316835

Structure parameters

• Formula: C32 H22 Au Br2 Cl Fe N8 O4
• Calculated formula: C32 H22 Au Br2 Cl Fe N8 O4
• SMILES: [Au](Br)(Br)(C#N)C#N.Cl(=O)(=O)(=O)[O-].[Fe]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1
• Title of publication: The Use of Polarizable [AuX2(CN)2]- (X = Br, I) Building Blocks Toward the Formation of Birefringent Coordination Polymers
• Authors of publication: Jeffrey S. Ovens; Andrew R. Geisheimer; Alexei A. Bokov; Zuo-Guang Ye; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9609 - 9616
• a: 8.8874 ± 0.0015 Å
• b: 9.1081 ± 0.0016 Å
• c: 42.151 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3412 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1758
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No