Information card for entry 7026103

Structure parameters

• Formula: C27 H23 Au Cl N2 O2 P
• Calculated formula: C27 H23 Au Cl N2 O2 P
• SMILES: [Au](Cl)[P](c1ccccc1/C=N/CC(=O)Nc1ccccc1O)(c1ccccc1)c1ccccc1
• Title of publication: Flexible kappa4-PNN'O-tetradentate ligands: synthesis, complexation and structural studies.
• Authors of publication: Durran, Sean E.; Elsegood, Mark R. J.; Hammond, Shelly R.; Smith, Martin B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7136 - 7146
• a: 7.344 ± 0.0006 Å
• b: 16.0841 ± 0.0013 Å
• c: 21.1068 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2493.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No