Information card for entry 2243030

Structure parameters

• Chemical name: (<i>E</i>)-6,6'-(Diazene-1,2-diyl)bis(1,10-phenanthrolin-5-ol) trichloromethane disolvate
• Formula: C26 H16 Cl6 N6 O2
• Calculated formula: C26 H16 Cl6 N6 O2
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.Oc1c(/N=N/c2c3cccnc3c3ncccc3c2O)c2cccnc2c2ncccc12
• Title of publication: (<i>E</i>)-6,6'-(Diazene-1,2-diyl)bis(1,10-phenanthrolin-5-ol) trichloromethane disolvate: a superconjugated ligand
• Authors of publication: Ahmed, Muhib; Devereux, Michael; McKee, Vickie; McCann, Malachy; Rooney, A. Denise
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1224 - 1227
• a: 5.9406 ± 0.0007 Å
• b: 18.856 ± 0.002 Å
• c: 12.2375 ± 0.0016 Å
• α: 90°
• β: 96.863 ± 0.004°
• γ: 90°
• Cell volume: 1361 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes