Information card for entry 4061626

Structure parameters

• Formula: C36 H59 F6 Ir N4 O9 S4
• Calculated formula: C36 H59 F6 Ir N4 O9 S4
• SMILES: [Ir]12345([S](c6n(cc(n6)C(C)(C)C)C)CC[S]1c1n(cc(n1)C(C)(C)C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[OH2].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O=C(C)C.O=C(C)C
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 11.892 ± 0.001 Å
• b: 14.532 ± 0.001 Å
• c: 15.385 ± 0.001 Å
• α: 101.934 ± 0.001°
• β: 95.489 ± 0.001°
• γ: 103.635 ± 0.001°
• Cell volume: 2498.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No