Information card for entry 7709559

Structure parameters

• Formula: C15 H11 Br3 Cr N3
• Calculated formula: C15 H11 Br3 Cr N3
• SMILES: Br[Cr]12(Br)(Br)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1
• Title of publication: Heteroleptic mer-[Cr(N^N^N)(CN)3] complexes: synthetic challenge, structural characterization and photophysical properties.
• Authors of publication: Chong, Julien; Besnard, Céline; Cruz, Carlos M.; Piguet, Claude; Jiménez, Juan Ramón
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.4851 ± 0.0002 Å
• b: 14.3395 ± 0.0002 Å
• c: 13.9396 ± 0.0003 Å
• α: 90°
• β: 106.309 ± 0.002°
• γ: 90°
• Cell volume: 1627.81 ± 0.06 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No