Information card for entry 7000912

Structure parameters

• Common name: Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''- terpyridine) copper(ii) bis(hexafluorophosphate)
• Chemical name: Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine] copper(II) bis(hexafluorophosphate)
• Formula: C60 H62 Cu F12 N6 O12 P2
• Calculated formula: C60 H62 Cu F12 N6 O12 P2
• SMILES: [Cu]1234([n]5ccccc5c5[n]1c(cc(OCc1cc6OCCOCCOCCOCCOc6cc1)c5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(OCc2cc3OCCOCCOCCOCCOc3cc2)c1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ni(II), Co(II), Cu(II), Zn(II) and Na(I) complexes of a hybrid ligand 4′-(4‴-benzo-15-crown-5)-methyloxy-2,2′:6′,2″-terpyridine
• Authors of publication: Logacheva, Nadezhda M.; Baulin, Vladimir E.; Tsivadze, Aslan Yu.; Pyatova, Elena N.; Ivanova, Irina S.; Velikodny, Yurii A.; Chernyshev, Vladimir V.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 14
• Pages of publication: 2482 - 2489
• a: 12.618 ± 0.002 Å
• b: 12.557 ± 0.002 Å
• c: 39.689 ± 0.004 Å
• α: 90°
• β: 97.969 ± 0.017°
• γ: 90°
• Cell volume: 6227.8 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Goodness-of-fit parameter for all reflections: 1.7504
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No