Information card for entry 7014393

Structure parameters

• Formula: C27 H33 N3 O6 Ru
• Calculated formula: C27 H33 N3 O6 Ru
• SMILES: [Ru]123456([c]7([c]1([c]2([c]3([c]4([c]57C)C)C)C)C)C)(OC1=CC=CC=CC1=[O]6)n1nc(c(n1)C(=O)OCC)C(=O)OCC
• Title of publication: Mono and dinuclear arene ruthenium(II) triazoles by 1,3-dipolar cycloadditions to a coordinated azide in ruthenium(II) compounds.
• Authors of publication: Singh, Keisham Sarjit; Svitlyk, Volodymyr; Mozharivskyj, Yurij
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 5
• Pages of publication: 1020 - 1023
• a: 9.4032 ± 0.0004 Å
• b: 11.5596 ± 0.0005 Å
• c: 14.423 ± 0.0006 Å
• α: 111.292 ± 0.003°
• β: 92.407 ± 0.004°
• γ: 109.007 ± 0.003°
• Cell volume: 1358.04 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No