Information card for entry 4326735

Structure parameters

• Formula: C30.33 H20.67 Cl0.67 Ir N3 O2
• Calculated formula: C30.33 H20.68 Cl0.66 Ir N3 O2
• Title of publication: Two Closely Related Iridium(III) Complexes as Colorimetric and Fluorometric Chemodosimeters for Nitrite in Aqueous Solution Operating along Different Modes of Action
• Authors of publication: Shu Qinghai; Jan W. Bats; Michael Schmittel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10531 - 10533
• a: 19.9314 ± 0.0007 Å
• b: 19.9314 ± 0.0007 Å
• c: 32.9481 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11335.4 ± 0.8 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No