Information card for entry 2202052

Structure parameters

• Formula: C24 H24 Cl2 F6 Ir N4 P
• Calculated formula: C24 H24 Cl2 F6 Ir N4 P
• SMILES: [Ir]12(Cl)(Cl)([n]3ccc(cc3c3[n]1ccc(c3)C)C)[n]1ccc(cc1c1[n]2ccc(c1)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: <i>cis</i>-Dichlorobis(4,4'-dimethyl-2,2'-bipyridine)iridium(III) hexafluorophosphate
• Authors of publication: Naokazu Yoshikawa; Jun Sakamoto; Nobuko Kanehisa; Yasushi Kai; Takeko Matsumura-Inoue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m155 - m156
• a: 7.8114 ± 0.0002 Å
• b: 21.6075 ± 0.0007 Å
• c: 16.6606 ± 0.0005 Å
• α: 90°
• β: 91.4634 ± 0.0007°
• γ: 90°
• Cell volume: 2811.14 ± 0.14 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.407
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes