Information card for entry 7018025

Structure parameters

• Formula: C18 H35 Cu N5 O19 W6
• Calculated formula: C18 H33 Cu N5 O19 W6
• SMILES: C1C[N]2=C(CC(C)(C)[NH]3CC[N]4=C(CC(C)(C)[NH]1[Cu]234[N]#CC)C)C.O=[W]1234O[W]567(=O)O[W]89(O3)(=O)O[W]3%10(O6)(=O)O[W]6(O1)(=O)(O8)O[W](O2)(O5)(O3)(=O)[O]479%106
• Title of publication: Spontaneous resolution through helical association of a Cu-azamacrocyclic complex with Lindqvist-type isopolyanion.
• Authors of publication: Sarma, Monima; Chatterjee, Tanmay; Vindhya, Hanumanthugari; Das, Samar K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1862 - 1866
• a: 11.0347 ± 0.001 Å
• b: 15.0878 ± 0.0013 Å
• c: 20.732 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3451.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No