Information card for entry 7038664

Structure parameters

• Formula: C42 H89 Ce Cl I N3 O7 P6
• Calculated formula: C42 H89 Ce Cl I N3 O7 P6
• SMILES: [Ce]123([O]=P(N=P(O1)(C(C)C)C(C)C)(C(C)C)C(C)C)([O]=P(N=P(O2)(C(C)C)C(C)C)(C(C)C)C(C)C)([O]=P(N=P(O3)(C(C)C)C(C)C)(C(C)C)C(C)C)O[I](Cl)c1ccccc1
• Title of publication: Iodosylbenzene and iodylbenzene adducts of cerium(iv) complexes bearing chelating oxygen ligands.
• Authors of publication: Au-Yeung, Ka-Chun; So, Yat-Ming; Wang, Guo-Cang; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5434 - 5438
• a: 21.827 ± 0.0002 Å
• b: 12.71458 ± 0.00013 Å
• c: 20.5184 ± 0.00019 Å
• α: 90°
• β: 93.3517 ± 0.0008°
• γ: 90°
• Cell volume: 5684.55 ± 0.09 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No