Information card for entry 4316830

Structure parameters

• Formula: C18 H36 Au Br2 N3
• Calculated formula: C18 H36 Au Br2 N3
• SMILES: C(#N)[Au](Br)(C#N)Br.C(CCC)[N+](CCCC)(CCCC)CCCC
• 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: 9.735 ± 0.0004 Å
• b: 12.8898 ± 0.0006 Å
• c: 20.3423 ± 0.001 Å
• α: 90°
• β: 103 ± 0.003°
• γ: 90°
• Cell volume: 2487.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0647
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No