Information card for entry 7024606

Structure parameters

• Formula: C16 H20 Cl N4 O9 Ru
• Calculated formula: C16 H20 Cl N4 O9 Ru
• SMILES: [Ru]123([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[n]1cc[nH]c1c1[n]3cc[nH]1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Paramagnetic ruthenium-biimidazole derivatives [(acac)2Ru(III)(LHn)]m, n/m = 2/+, 1/0, 0/-. Synthesis, structures, solution properties and anion receptor features in solution state.
• Authors of publication: Kundu, Tanaya; Mobin, Shaikh M.; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 17
• Pages of publication: 4232 - 4242
• a: 31.457 ± 0.003 Å
• b: 6.1523 ± 0.0002 Å
• c: 26.643 ± 0.002 Å
• α: 90°
• β: 125.435 ± 0.012°
• γ: 90°
• Cell volume: 4201.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No