Information card for entry 7036645

Structure parameters

• Formula: C66.5 H149.5 N5 O0.25 P8 Ru2 S8
• Calculated formula: C64 H144 N5 P8 Ru2 S8
• SMILES: C(C)(C)(C)P1(C(C)(C)C)=NP(C(C)(C)C)(=[S][Ru]2(=N[Ru]34([S]=P(C(C)(C)C)(C(C)(C)C)N=P(C(C)(C)C)(S3)C(C)(C)C)[S]=P(N=P(S4)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(S1)[S]=P(N=P(S2)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 22.7799 ± 0.0004 Å
• b: 15.6193 ± 0.0003 Å
• c: 27.8342 ± 0.0005 Å
• α: 90°
• β: 102.879 ± 0.0018°
• γ: 90°
• Cell volume: 9654.4 ± 0.3 ų
• Cell temperature: 99.97 ± 0.11 K
• Ambient diffraction temperature: 99.97 ± 0.11 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No