Information card for entry 7006089

Structure parameters

• Formula: C29 H23 Au Cl2 Cr N O5 P
• Calculated formula: C29 H23 Au Cl2 Cr N O5 P
• SMILES: [Au](=C=C=C(N(C)C)[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Reaction and subsequent transformation of anionic acetylide-carbene complexes using the Ph3PAu+ fragment.
• Authors of publication: Stander, Elzet; Esterhuysen, Catharine; McKenzie, Jean M.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5684 - 5691
• a: 16.108 ± 0.003 Å
• b: 12.84 ± 0.002 Å
• c: 16.159 ± 0.003 Å
• α: 90°
• β: 115.924 ± 0.002°
• γ: 90°
• Cell volume: 3005.8 ± 0.9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No