Information card for entry 4061106

Structure parameters

• Formula: C53 H59 B Ir2 S2
• Calculated formula: C53 H59 B Ir2 S2
• SMILES: [Ir]1234567([Ir]89%10%11(SC(=[S]1)c1ccccc1)([c]1([c]%11([c]%10([c]9([c]81C)C)C)C)C)(C6)C7)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Nucleophilicity of Ligated S~2~^2-^ Ions. Conversion of Organic Chlorides into Organosulfur Compounds incis-[(MCp*)~2~(μ-CH~2~)~2~(μ-S2R)]^+^ (M = Rh, Ir)
• Authors of publication: Lobana, Tarlok S.; Isobe, Kiyoshi; Kitayama, Hiroaki; Nishioka, Takanori; Doe, Matsumi; Kinoshita, Isamu
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 5347 - 5352
• a: 9.892 ± 0.002 Å
• b: 21.841 ± 0.003 Å
• c: 11.99 ± 0.002 Å
• α: 90°
• β: 119.715 ± 0.003°
• γ: 90°
• Cell volume: 2249.8 ± 0.6 ų
• Cell temperature: 193.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No