Information card for entry 7028119

Structure parameters

• Formula: C34 H34 Cl6 N O3 P Ru
• Calculated formula: C34 H34 Cl6 N O3 P Ru
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)(OC(=O)C(=C)N1C(=O)C)[c]1([cH]2[c]3([cH]4[c]5([cH]61)C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Use of silver oxide in the synthesis of areneruthenium metallacyclic complexes
• Authors of publication: L. Davies, David; Fawcett, John; Krafczyk, Roland; R. Russell, David; Singh, Kuldip
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 14
• Pages of publication: 2349
• a: 10.667 ± 0.003 Å
• b: 11.154 ± 0.002 Å
• c: 30.814 ± 0.004 Å
• α: 90°
• β: 91.36 ± 0.02°
• γ: 90°
• Cell volume: 3665.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0943
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.1046
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No