Information card for entry 7027978

Structure parameters

• Formula: C36 H54 Ce F36 N6 O6
• Calculated formula: C36 H52 Ce F36 N6 O6
• SMILES: C(O[Ce](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.[NH+](CCN(CCN(C)C)C)(C)C.[NH+](CCN(CCN(C)C)C)(C)C
• Title of publication: Synthesis and characterization of volatile cerium(IV) hexafluoroisopropoxide complexes. Structure of [Hpmdien]2[Ce{OCH(CF3)2}6]
• Authors of publication: Hubert-Pfalzgraf, Liliane G.; Abada, Valérie; Vaissermann, Jacqueline
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 20
• Pages of publication: 3437
• a: 10.421 ± 0.004 Å
• b: 11.709 ± 0.003 Å
• c: 13.101 ± 0.007 Å
• α: 71.34 ± 0.03°
• β: 83.98 ± 0.04°
• γ: 77.03 ± 0.03°
• Cell volume: 1475 ± 1.1 ų
• Cell temperature: 177 K
• Ambient diffraction temperature: 177 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0597
• Goodness-of-fit parameter for significantly intense reflections: 1.1355
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No