Information card for entry 4327078

Structure parameters

• Common name: 08183
• Formula: C25 H26 Ir N5 O4
• Calculated formula: C25 H26 Ir N5 O4
• SMILES: [Ir]123(OC(=O)N[NH2]1)([n]1ccccc1c1ccccc21)[n]1ccccc1c1ccccc31.O.O.N#CC
• Title of publication: Optical Response of a Cyclometalated Iridium(III) Hydrazino Complex to Carbon Dioxide: Generation of a Strongly Luminescent Iridium(III) Carbazate
• Authors of publication: Kyle R. Schwartz; Kent R. Mann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12477 - 12485
• a: 8.774 ± 0.0006 Å
• b: 9.431 ± 0.0007 Å
• c: 16.213 ± 0.0012 Å
• α: 98.902 ± 0.001°
• β: 92.726 ± 0.001°
• γ: 109.009 ± 0.001°
• Cell volume: 1246.24 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No