Information card for entry 7011108

Structure parameters

• Formula: C32.25 H37 F6 Ir N7 O8.25 S2
• Calculated formula: C32.25 H27 F6 Ir N7 O8.25 S2
• Title of publication: Synthesis and DNA binding properties of bioorganometallic (η5-pentamethylcyclopentadienyl)iridium(III) complexes of the type [(η5-C5Me5)Ir(Aa)(dppz)]n+ (dppz = dipyrido[3,2-a:2',3'-c]phenazine, n= 1‒3), with S-coordinated amino acids (Aa) or peptides
• Authors of publication: Diran Herebian; William S. Sheldrick
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 966 - 974
• a: 12.755 ± 0.003 Å
• b: 13.247 ± 0.003 Å
• c: 14.711 ± 0.007 Å
• α: 63.27 ± 0.03°
• β: 70.26 ± 0.02°
• γ: 88.88 ± 0.02°
• Cell volume: 2063.5 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.135
• Weighted residual factors for significantly intense reflections: 0.1195
• Goodness-of-fit parameter for all reflections: 1.101
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No