Information card for entry 4344701

Structure parameters

• Formula: C27 H24 Cl2 N2 O6 Ru
• Calculated formula: C27 H24 Cl2 N2 O6 Ru
• SMILES: [Ru]123([O]=C(C=C(O2)C)C)([O]=C(C=C(O1)C)C)[N]1=C(C2=[N]3c3c(C2=O)cccc3)C(=O)c2c1cccc2.ClCCl
• Title of publication: The Electron-Rich {Ru(acac)2} Directed Varying Configuration of the Deprotonated Indigo and Evidence for Its Bidirectional Noninnocence.
• Authors of publication: Mondal, Prasenjit; Das, Ankita; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 1208 - 1218
• a: 14.259 ± 0.005 Å
• b: 14.318 ± 0.004 Å
• c: 14.542 ± 0.005 Å
• α: 72.464 ± 0.009°
• β: 87.615 ± 0.011°
• γ: 76.362 ± 0.011°
• Cell volume: 2749.7 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No