Information card for entry 7000910

Structure parameters

• Common name: Bis(4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''- terpyridine)nickel(ii) bis(hexafluorophosphate) ethanol disolvate monohydrate
• Chemical name: Bis[4'-(4'''-benzo-15-crown-5)-methyloxy-2,2':6',2''-terpyridine]nickel(II) bis(hexafluorophosphate) ethanol disolvate monohydrate
• Formula: C64 H76 F12 N6 Ni O15 P2
• Calculated formula: C64 H76 F12 N6 Ni O15 P2
• SMILES: c1cccc2c3[n]4[Ni]56([n]12)([n]1c(c4cc(c3)OCc2cc3OCCOCCOCCOCCOc3cc2)cccc1)[n]1ccccc1c1cc(cc([n]51)c1[n]6cccc1)OCc1cc2OCCOCCOCCOCCOc2cc1.OCC.[P](F)(F)(F)(F)(F)[F-].O.OCC.[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: 12.801 ± 0.002 Å
• b: 20.582 ± 0.002 Å
• c: 25.813 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6801 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Goodness-of-fit parameter for all reflections: 1.8083
• 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