Information card for entry 2202979

Structure parameters

• Formula: C36 H24 Cl2 F6 Ir N4 P
• Calculated formula: C36 H24 Cl2 F6 Ir N4 P
• SMILES: [Ir]12(Cl)(Cl)([n]3c4ccccc4ccc3c3[n]1c1c(cc3)cccc1)[n]1c3ccccc3ccc1c1[n]2c2c(cc1)cccc2.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: <i>cis</i>-Dichlorobis(2,2'-biquinoline)iridium(III) hexafluorophosphate
• Authors of publication: Naokazu Yoshikawa; Jun Sakamoto; Nobuko Kanehisa; Yasushi Kai; Takeko Matsumura-Inoue; Hiroshi Takashima; Keiichi Tsukahara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m551 - m552
• a: 10.5127 ± 0.0002 Å
• b: 23.6279 ± 0.0005 Å
• c: 13.775 ± 0.0002 Å
• α: 90°
• β: 108.019 ± 0.0003°
• γ: 90°
• Cell volume: 3253.8 ± 0.1 ų
• Cell temperature: 223.2 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: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes