Information card for entry 7036643

Structure parameters

• Formula: C48 H112 Cl N5 P8 Ru2 S8
• Calculated formula: C48 H112 Cl N5 P8 Ru2 S8
• SMILES: [Ru]12(Cl)([S]=P(N=P(S1)(C(C)C)C(C)C)(C(C)C)C(C)C)([S]=P(N=P(S2)(C(C)C)C(C)C)(C(C)C)C(C)C)=[N]=[Ru]12([S]=P(N=P(S1)(C(C)C)C(C)C)(C(C)C)C(C)C)[S]=P(N=P(S2)(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: 13.3977 ± 0.0002 Å
• b: 28.4018 ± 0.0004 Å
• c: 19.903 ± 0.0003 Å
• α: 90°
• β: 107.605 ± 0.002°
• γ: 90°
• Cell volume: 7218.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No