Information card for entry 4306915

Structure parameters

• Formula: C35 H30 Au Cl N3 O3 P
• Calculated formula: C35 H30 Au Cl N3 O3 P
• SMILES: [Au](Cl)[P](c1ccccc1/C=N/c1ccccc1NC(=O)CNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Coordination Studies of a New Unsymmetrical κ4-PNN'N''-Tetradentate Ligand: Stepwise Formation and Structural Characterization
• Authors of publication: Sean E. Durran; Mark R. J. Elsegood; Shelly R. Hammond; Martin B. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2755 - 2766
• a: 10.2646 ± 0.0003 Å
• b: 24.5437 ± 0.0008 Å
• c: 25.2894 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6371.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No