Information card for entry 2203001

Structure parameters

• Formula: C24 H16 Cl2 F6 Ir N4 P
• Calculated formula: C24 H16 Cl2 F6 Ir N4 P
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Ir]2([n]13)([n]1cccc3c1c1c(cc3)ccc[n]21)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: <i>cis</i>-Dichlorobis(1,10-phenanthroline)iridium(III) hexafluorophosphate
• Authors of publication: Yoshikawa, Naokazu; Sakamoto, Jun; Kanehisa, Nobuko; Kai, Yasushi; Matsumura, Keiko; Takashima, Hiroshi; Tsukahara, Keiichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: m972 - m974
• a: 16.34 ± 0.001 Å
• b: 12.679 ± 0.001 Å
• c: 12.987 ± 0.0008 Å
• α: 90°
• β: 103.321 ± 0.002°
• γ: 90°
• Cell volume: 2618.2 ± 0.3 ų
• Cell temperature: 200.2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes