Information card for entry 1542977

Structure parameters

• Chemical name: (4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate
• Formula: C34 H28 F6 Ir N4 O2 P
• Calculated formula: C34 H28 F6 Ir N4 O2 P
• SMILES: [Ir]123([n]4ccccc4c4ccccc24)([n]2ccccc2c2ccccc32)[n]2ccc(OC)cc2c2[n]1ccc(OC)c2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: (4,4'-Dimethoxy-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ<i>C</i>^1^]iridium(III) hexafluoridophosphate unknown solvate
• Authors of publication: Natsumi, Yano; Yusuke, Kataoka; Tatsuya, Kawamoto; Makoto, Handa
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 3
• Pages of publication: x160487
• a: 9.4106 ± 0.0012 Å
• b: 14.936 ± 0.002 Å
• c: 24.175 ± 0.004 Å
• α: 90°
• β: 90.29 ± 0.002°
• γ: 90°
• Cell volume: 3397.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes