Information card for entry 7030053

Structure parameters

• Formula: C60 H96 Ce N4 O8
• Calculated formula: C60 H96 Ce N4 O8
• SMILES: [Ce]1234([N](c5cc(ccc5OC)C(C)(C)C)(O1)C(C)(C)C)([N](c1cc(ccc1OC)C(C)(C)C)(O2)C(C)(C)C)([N](c1cc(ccc1OC)C(C)(C)C)(O3)C(C)(C)C)[N](c1cc(ccc1OC)C(C)(C)C)(O4)C(C)(C)C
• Title of publication: A homoleptic η(2) hydroxylaminato Ce(IV) complex with S4 symmetry.
• Authors of publication: Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 17
• Pages of publication: 6300 - 6303
• a: 16.9469 ± 0.0014 Å
• b: 16.9469 ± 0.0014 Å
• c: 10.784 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3097.1 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1032
• 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