Information card for entry 4350412

Structure parameters

• Formula: C39 H33 Cl Cu N4 O7
• Calculated formula: C39 H33 Cl Cu N4 O7
• SMILES: [Cu]123Oc4ccc5c(cccc5)c4C=[N]1CC[NH]2CC[NH]3CCN1[C@@H]2Oc3c(c4ccccc4cc3)[C@H]1Oc1c2c2ccccc2cc1.Cl(=O)(=O)(=O)[O-].[Cu]123Oc4ccc5c(cccc5)c4C=[N]1CC[NH]2CC[NH]3CCN1[C@H]2Oc3c(c4ccccc4cc3)[C@@H]1Oc1c2c2ccccc2cc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Copper complex of an iminodioxabicyclo[3.3.1]nonane pendant ligand: the first example of iminodioxocin bridgehead nitrogen coordination.
• Authors of publication: Mandal, Debashree; Wu, A-Qing; Guo, Guo-Cong; Ray, Debashis
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8826 - 8828
• a: 10.0652 ± 0.0001 Å
• b: 24.947 ± 0.003 Å
• c: 14.107 ± 0.003 Å
• α: 90°
• β: 107.049 ± 0.01°
• γ: 90°
• Cell volume: 3386.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1241
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No