Information card for entry 7247624

Structure parameters

• Formula: C14 H10 Cu N4 O2
• Calculated formula: C14 H10 Cu N4 O2
• SMILES: [Cu]12(n3ccc4c3n(=[O]1)ccc4)[O]=n1c3n2ccc3ccc1
• Title of publication: Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide
• Authors of publication: Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 45
• Pages of publication: 6371 - 6378
• a: 8.6982 ± 0.0005 Å
• b: 11.0452 ± 0.0006 Å
• c: 13.7542 ± 0.0008 Å
• α: 90°
• β: 106.867 ± 0.002°
• γ: 90°
• Cell volume: 1264.57 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0684
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No