Information card for entry 7004948

Structure parameters

• Common name: cyclooctadiene-(3,4,7,8-tetramethyl-1,10-phenanthroline,N,N')- chloro-iridium(i) chloromethane solvate
• Chemical name: cyclooctadiene-(3,4,7,8-tetramethyl-1,10-phenanthroline,N,N')-chloro-iridium(I) chloromethane solvate
• Formula: C25 H30 Cl3 Ir N2
• Calculated formula: C25 H28 Cl3 Ir N2
• Title of publication: Evaluation of the donor ability of phenanthrolines in iridium complexes by means of synchrotron radiation photoemission spectroscopy and DFT calculations.
• Authors of publication: Crotti, Corrado; Farnetti, Erica; Filipuzzi, Serena; Stener, Mauro; Zangrando, Ennio; Moras, Paolo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 1
• Pages of publication: 133 - 142
• a: 15.439 ± 0.003 Å
• b: 11.262 ± 0.003 Å
• c: 14.071 ± 0.003 Å
• α: 90°
• β: 103.78 ± 0.02°
• γ: 90°
• Cell volume: 2376.2 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No