Information card for entry 7036640

Structure parameters

• Formula: C36 H30 As2 Cl3 N Ru S
• Calculated formula: C36 H30 As2 Cl3 N Ru S
• SMILES: c1(ccccc1)[As](c1ccccc1)(c1ccccc1)[Ru](N=S)(Cl)(Cl)([As](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.
• Authors of publication: Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18459 - 18468
• a: 16.0414 ± 0.0009 Å
• b: 9.4516 ± 0.0003 Å
• c: 22.7388 ± 0.0016 Å
• α: 90°
• β: 102.12 ± 0.007°
• γ: 90°
• Cell volume: 3370.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No