Information card for entry 7028624

Structure parameters

• Formula: C27 H31 Cl4 N3 Os
• Calculated formula: C27 H31 Cl4 N3 Os
• SMILES: [Os]12345(Cl)(Cl)(c6n(n[n+](c6c6ccccc6)C)Cc6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C.ClCCl
• Title of publication: Ruthenium(II) and osmium(II) 1,2,3-triazolylidene organometallics: a preliminary investigation into the biological activity of 'click' carbene complexes.
• Authors of publication: Kilpin, Kelly J.; Crot, Stéphanie; Riedel, Tina; Kitchen, Jonathan A.; Dyson, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1443 - 1448
• a: 6.3833 ± 0.0001 Å
• b: 28.5636 ± 0.0006 Å
• c: 15.9512 ± 0.0003 Å
• α: 90°
• β: 98.391 ± 0.002°
• γ: 90°
• Cell volume: 2877.25 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No