Information card for entry 7031062

Structure parameters

• Formula: C29 H36 Cl3 N3 O2 Ru2
• Calculated formula: C29 H36 Cl3 N3 O2 Ru2
• SMILES: O.O.[Ru]123456(Cl)(c7c(N8C=CN(C=28)C)cc[n]([Ru]289%10%11(Cl)(Cl)[cH]%12[cH]8[c]%11([cH]2[cH]9[c]%10%12C)C(C)C)c7)[c]2([cH]3[cH]1[c]4(C(C)C)[cH]5[cH]62)C
• Title of publication: Labile coordination approach for the modulation of the electronic properties of ruthenium(ii) and iridium(iii) complexes within an "N-heterocyclic carbene (NHC)-pyridyl" dynamic platform.
• Authors of publication: Mondal, Moumita; Ranjeesh, T. K.; Gupta, Suraj K.; Choudhury, Joyanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9356 - 9362
• a: 11.7528 ± 0.0004 Å
• b: 18.8583 ± 0.0007 Å
• c: 13.8022 ± 0.0005 Å
• α: 90°
• β: 93.097 ± 0.002°
• γ: 90°
• Cell volume: 3054.62 ± 0.19 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No