Information card for entry 2224661

Structure parameters

• Chemical name: Chlorido[3,3'-dibutyl-5,5'-(pyridine-2,6-diyl)dipyrazol-1-ido]gold(III)
• Formula: C19 H23 Au Cl N5
• Calculated formula: C19 H23 Au Cl N5
• SMILES: [Au]12(n3c(c4[n]1c(c1n2nc(c1)CCCC)ccc4)cc(n3)CCCC)Cl
• Title of publication: Chlorido[3,3'-dibutyl-5,5'-(pyridine-2,6-diyl)dipyrazol-1-ido]gold(III)
• Authors of publication: Hashmi, A. Stephen K.; Lothschütz, Christian; Rominger, Frank
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m64
• a: 9.0003 ± 0.0003 Å
• b: 24.222 ± 0.0007 Å
• c: 9.3042 ± 0.0003 Å
• α: 90°
• β: 101.372 ± 0.001°
• γ: 90°
• Cell volume: 1988.54 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0927
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes