Information card for entry 2209123

Structure parameters

• Chemical name: Carbonyliodo{[1-(2-pyridylmethyl)cyclohexylmethyl]-η^5^-cyclopentadienyl- κN}ruthenium(II)
• Formula: C18 H20 I N O Ru
• Calculated formula: C18 H20 I N O Ru
• SMILES: [O]#C[Ru]12345([n]6ccccc6CC6(CCCCC6)[c]61[cH]5[cH]4[cH]3[cH]26)I
• Title of publication: Carbonyliodo{[1-(2-pyridylmethyl)cyclohexylmethyl]-η^5^-cyclopentadienyl-κ<i>N</i>}ruthenium(II)
• Authors of publication: Han, Ruo-Chen; Zhou, Li-Na; Wang, Jing-Kang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1287 - m1288
• a: 6.7349 ± 0.0013 Å
• b: 22.903 ± 0.005 Å
• c: 11.626 ± 0.002 Å
• α: 90°
• β: 99.29 ± 0.03°
• γ: 90°
• Cell volume: 1769.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes