Information card for entry 7247628

Structure parameters

• Formula: C16 H16 Cu2 N4 O4
• Calculated formula: C16 H16 Cu2 N4 O4
• SMILES: [Cu]12([O]=n3c4n2ccc4ccc3)[O]([Cu]2([O]=n3c4n2ccc4ccc3)[O]1C)C
• 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: 12.4309 ± 0.0006 Å
• b: 10.4129 ± 0.0005 Å
• c: 13.1342 ± 0.0006 Å
• α: 90°
• β: 104.761 ± 0.002°
• γ: 90°
• Cell volume: 1644 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No