Information card for entry 1517622

Structure parameters

• Formula: C18 H36 Au Cl2 N3
• Calculated formula: C18 H36 Au Cl2 N3
• SMILES: [Au](Cl)(Cl)(C#N)C#N.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers
• Authors of publication: Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 127 - 135
• a: 14.672 ± 0.002 Å
• b: 8.9189 ± 0.0014 Å
• c: 19.432 ± 0.003 Å
• α: 90°
• β: 109.062 ± 0.002°
• γ: 90°
• Cell volume: 2403.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No