Information card for entry 4347686

Structure parameters

• Formula: C56.5 H118.5 Ce Co3 N2 Na O30 P9
• Calculated formula: C56.5 H45 Ce Co3 N2 Na O30 P9
• SMILES: [cH]12[cH]3[cH]4[cH]5[CH]1[Co]162345[P](OCC)(OCC)[O][Na]2([O](=C(N)C)[Ce]3457([OH]2)(O[P](OCC)(OCC)[Co]289%10([P](OCC)(OCC)[O]4)([cH]4[cH]2[cH]8[cH]9[cH]%104)[P](O3)(OCC)OCC)O[P](OCC)(OCC)[Co]2348([P](OCC)(OCC)O5)([P](OCC)(OCC)O7)[cH]5[cH]2[cH]3[cH]4[cH]85)(O[P]1(OCC)OCC)O[P]6(OCC)OCC.NC(=O)C.C(CC)CCC
• Title of publication: Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.
• Authors of publication: So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10003 - 10012
• a: 15.6774 ± 0.0004 Å
• b: 24.5363 ± 0.0004 Å
• c: 23.7102 ± 0.0007 Å
• α: 90°
• β: 106.619 ± 0.003°
• γ: 90°
• Cell volume: 8739.5 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No