Information card for entry 7032752

Structure parameters

• Formula: C50 H40 N2 O5 Ru
• Calculated formula: C50 H40 N2 O5 Ru
• SMILES: C(#[O])[Ru]1234(C#[O])([C]5(=O)[C]1(=[C]2([C]3(=[C]45c1ccccc1)c1ccc(cc1)OC)c1ccc(cc1)OC)c1ccccc1)=C1N(C=CN1Cc1ccccc1)Cc1ccccc1
• Title of publication: Sterically driven synthesis of ruthenium and ruthenium-silver N-heterocyclic carbene complexes.
• Authors of publication: Cesari, C.; Conti, S.; Zacchini, S.; Zanotti, V.; Cassani, M. C.; Mazzoni, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17240 - 17243
• a: 14.602 ± 0.004 Å
• b: 15.79 ± 0.004 Å
• c: 17.85 ± 0.005 Å
• α: 90°
• β: 101.118 ± 0.003°
• γ: 90°
• Cell volume: 4038.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1861
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No