Information card for entry 7004915

Structure parameters

• Common name: trans-dichlorobis(1,2- bis(methylthiomethyl)benzene)ruthenium(ii)
• Chemical name: trans-dichlorobis(1,2-bis(methylthiomethyl)benzene)ruthenium(II)
• Formula: C20 H28 Cl2 Ru S4
• Calculated formula: C20 H28 Cl2 Ru S4
• SMILES: C[S]1Cc2ccccc2C[S]([Ru]21([S](C)Cc1ccccc1C[S]2C)(Cl)Cl)C
• Title of publication: Transition metal complexes with wide-angle dithio-, diseleno- and ditelluroethers: properties and structural systematics.
• Authors of publication: Levason, William; Nirwan, Manisha; Ratnani, Raju; Reid, Gillian; Tsoureas, Nikolaos; Webster, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 439 - 448
• a: 8.401 ± 0.002 Å
• b: 9.182 ± 0.002 Å
• c: 15.308 ± 0.003 Å
• α: 90°
• β: 101.282 ± 0.01°
• γ: 90°
• Cell volume: 1158 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No