Information card for entry 7020723

Structure parameters

• Formula: C43 H49 B N2 O2 Ru S2
• Calculated formula: C43 H49 B N2 O2 Ru S2
• SMILES: [Ru]123456(SS(=O)(=O)c7ccc(cc7)C)([NH2]CC[NH2]1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Influence of the diamine on the reactivity of thiosulfonato ruthenium complexes with hydrosulfide (HS(-)).
• Authors of publication: Galardon, Erwan; Daguet, Hombeline; Deschamps, Patrick; Roussel, Pascal; Tomas, Alain; Artaud, Isabelle
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2817 - 2821
• a: 9.0834 ± 0.0004 Å
• b: 11.4504 ± 0.0004 Å
• c: 19.9443 ± 0.0004 Å
• α: 94.078 ± 0.002°
• β: 97.236 ± 0.002°
• γ: 105.574 ± 0.002°
• Cell volume: 1970.32 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No