Information card for entry 7102539

Structure parameters

• Formula: C26 H26 Cu2 N2 O8
• Calculated formula: C26 H26 Cu2 N2 O8
• SMILES: [Cu]123[N](=Cc4c(O1)cccc4)CC1[O]2[Cu]2(Oc4c(C=[N]2C1)cccc4)[O]=C(C=Cc1ccc(O)cc1)O3.O.O
• Title of publication: Helical supramolecular host with aquapores anchoring alternate molecules of helical water chains.
• Authors of publication: Mukherjee, Arindam; Saha, Manas K; Nethaji, Munirathinam; Chakravarty, Akhil R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 716 - 717
• a: 8.106 ± 0.003 Å
• b: 13.166 ± 0.003 Å
• c: 25.16 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2685.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 n b
• Hall space group symbol: P -2bc 2a
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No