Information card for entry 7225186

Structure parameters

• Chemical name: di(chrysazinato)di-copper(II) N,N'-dimethylformamide solvate
• Formula: C29.33 H15.11 Cu2 N0.44 O8.44
• Calculated formula: C28 H12 Cu2 O8
• SMILES: c12cccc3C(=O)c4cccc5O[Cu]67[O]8[Cu](O1)([O]7=C(c45)c23)Oc1cccc2C(=O)c3cccc(O6)c3C=8c12
• Title of publication: Transition metal coordination complexes of chrysazin
• Authors of publication: Beldon, Patrick J.; Henke, Sebastian; Monserrat, Bartomeu; Tominaka, Satoshi; Stock, Norbert; Cheetham, Anthony K.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 5121
• a: 40.04 ± 0.03 Å
• b: 40.04 ± 0.03 Å
• c: 3.674 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5101 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No