Information card for entry 2216007

Structure parameters

• Chemical name: (μ-3,4:9,10:17,18:23,24-Tetrabenzo-1,12,15,26-tetraaza-5,8,19,22- tetraoxacyclooctacosane- κ^4^N^1^,N^26^:N^12^,N^15^)bis[aquadichloridocopper(II)]
• Formula: C36 H48 Cl4 Cu2 N4 O6
• Calculated formula: C36 H48 Cl4 Cu2 N4 O6
• SMILES: C1Oc2ccccc2C[NH]2CC[NH]([Cu]2(Cl)(Cl)[OH2])Cc2ccccc2OCCOc2ccccc2C[NH]2CC[NH](Cc3ccccc3OC1)[Cu]2(Cl)(Cl)[OH2]
• Title of publication: (μ-3,4:9,10:17,18:23,24-Tetrabenzo-1,12,15,26-tetraaza-5,8,19,22-tetraoxacyclooctacosane-κ^4^<i>N</i>^1^,<i>N</i>^26^:<i>N</i>^12^,<i>N</i>^15^)bis[aquadichloridocopper(II)]
• Authors of publication: Zhi-Fang Jia; Jian-Fang Ma; Lai-Ping Zhang; Ting-Ting Han
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2652 - m2653
• a: 13.193 ± 0.001 Å
• b: 8.453 ± 0.0008 Å
• c: 17.913 ± 0.002 Å
• α: 90°
• β: 98.211 ± 0.002°
• γ: 90°
• Cell volume: 1977.2 ± 0.3 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: 0.0958
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes