Information card for entry 7051068

Structure parameters

• Formula: C18 H16 Au Cl2 N2 P
• Calculated formula: C18 H16 Au Cl2 N2 P
• SMILES: [Au](Cl)[P](c1ccccc1)(c1ccccc1)CNc1ncc(Cl)cc1
• Title of publication: Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies
• Authors of publication: Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 416 - 422
• a: 9.849 ± 0.003 Å
• b: 11.647 ± 0.003 Å
• c: 9.054 ± 0.002 Å
• α: 109.31 ± 0.02°
• β: 95.75 ± 0.03°
• γ: 102.41 ± 0.03°
• Cell volume: 940.6 ± 0.5 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for all reflections: 0.0245
• Weighted residual factors for all reflections included in the refinement: 0.0245
• Goodness-of-fit parameter for all reflections: 1.349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No