Information card for entry 4060566

Structure parameters

• Formula: C35 H48 Cl2 Ir2 O8 S4
• Calculated formula: C35 H48 Cl2 Ir2 O8 S4
• SMILES: [Ir]123456([S]([Ir]789%10%11([S](C(=C(SC7)C(=O)OC)C(=O)OC)C2)[c]2([c]%11([c]%10([c]9([c]82C)C)C)C)C)C(=C(S1)C(=O)OC)C(=O)OC)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.ClCCl
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 17.9309 ± 0.0005 Å
• b: 13.0331 ± 0.0004 Å
• c: 20.1731 ± 0.0007 Å
• α: 90°
• β: 106.137 ± 0.0005°
• γ: 90°
• Cell volume: 4528.6 ± 0.2 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No