Information card for entry 7020724

Structure parameters

• Formula: C50 H49 B N2 Ru S
• Calculated formula: C50 H49 B N2 Ru S
• SMILES: [Ru]123456(S)([n]7ccccc7c7[n]1cccc7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.c1(ccccc1)[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: 12.8455 ± 0.0018 Å
• b: 15.144 ± 0.002 Å
• c: 22.259 ± 0.003 Å
• α: 90°
• β: 95.33 ± 0.003°
• γ: 90°
• Cell volume: 4311.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No