Information card for entry 4316837

Structure parameters

• Formula: C19 H11 Au2 Br4 Cu N7
• Calculated formula: C19 H11 Au2 Br4 Cu N7
• SMILES: Br[Au](Br)(C#[N][Cu]12([N]#C[Au](C#N)(Br)Br)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)C#N
• 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: 7.6901 ± 0.0003 Å
• b: 16.0919 ± 0.0006 Å
• c: 20.6901 ± 0.0007 Å
• α: 90°
• β: 94.091 ± 0.002°
• γ: 90°
• Cell volume: 2553.84 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.1522
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0402
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No