Information card for entry 7062286

Structure parameters

• Formula: C25 H30 Au Cl N3 P
• Calculated formula: C25 H30 Au Cl N3 P
• SMILES: [Au](Cl)[P](c1c(N=C(NC(C)C)NC(C)C)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterisation of group 11 metal complexes with a guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i) complexes in gold-mediated organic reactions
• Authors of publication: Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 5930 - 5938
• a: 8.9997 ± 0.0003 Å
• b: 20.4818 ± 0.0007 Å
• c: 14.2314 ± 0.0004 Å
• α: 90°
• β: 107.334 ± 0.001°
• γ: 90°
• Cell volume: 2504.14 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0117
• Residual factor for significantly intense reflections: 0.0111
• Weighted residual factors for significantly intense reflections: 0.0269
• Weighted residual factors for all reflections included in the refinement: 0.0271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No