Information card for entry 4067014

Structure parameters

• Formula: C25 H48 Cl2 Ir2 N2 O2 S2
• Calculated formula: C25 H45 Cl2 Ir2 N2 O2 S2
• SMILES: [Ir]123456([S]([Ir]789%10%11([S]1CC[NH2]7)[c]1([c]%11(C)[c]%10(C)[c]9(C)[c]81C)C)CC[NH2]2)[c]1(C)[c]3([c]4(C)[c]5(C)[c]61C)C.[Cl-].[Cl-].OC.O
• Title of publication: Synthesis and Reactivity of 2-Aminoethanethiolato-Bridged Dinuclear Ru(hmb) Complexes (hmb = η6-hexamethylbenzene): Mechanistic Consideration on Transfer Hydrogenation with Bifunctional [RuCl2(hmb)]2/2-Aminoethanethiol Catalyst System
• Authors of publication: Ito, Masato; Watanabe, Akira; Shibata, Yuji; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4584
• a: 13.288 ± 0.006 Å
• b: 12.823 ± 0.006 Å
• c: 19.34 ± 0.009 Å
• α: 90°
• β: 90.969 ± 0.008°
• γ: 90°
• Cell volume: 3295 ± 3 ų
• Cell temperature: 193.1 K
• Ambient diffraction temperature: 193.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.2309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No