Information card for entry 7021890

Structure parameters

• Formula: C47 H73 Cl4 N9 O24 Ru2
• Calculated formula: C47 H73 Cl4 N9 O24 Ru2
• SMILES: [Ru]123456([OH2])([n]7n(c(cc7C)C)C(n7[n]1c(cc7C)C)c1nc(ccc1)C1n7[n]([Ru]89%10%11%12([OH2])([n]%13n1c(cc%13C)C)[c]1([cH]%12[cH]%11[c]%10([cH]9[cH]81)C(C)C)C)c(cc7C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O.O.O
• Title of publication: Synthesis, characterisation and biological activities of [(p-cym)RuX(pz4lut)](n+) and [{(p-cym)RuX}2(μ-pz4lut)](n+) (X = Cl, H2O and pz4lut = α,α,α',α'-tetra(pyrazol-1-yl)-2,6-lutidine).
• Authors of publication: Tripathy, Suman Kumar; Surada, Raj Kiran; Manne, Rajesh K.; Mobin, Shaikh M.; Santra, Manas Kumar; Patra, Srikanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 39
• Pages of publication: 14081 - 14091
• a: 11.2372 ± 0.0003 Å
• b: 15.7022 ± 0.0003 Å
• c: 18.983 ± 0.0004 Å
• α: 68.92 ± 0.002°
• β: 85.483 ± 0.002°
• γ: 86.922 ± 0.002°
• Cell volume: 3114.51 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No