Information card for entry 7106478

Structure parameters

• Formula: C86 H156 Ce Cr6 F7 N2 O31
• Calculated formula: C86 H156 Ce Cr6 F7 N2 O31
• SMILES: [Ce]12345([F][Cr]67([F][Cr]89([F][Cr]%10%11([F][Cr]%12%13([F][Cr]%14%15([F][Cr]([F]1)([O]=C(C(C)(C)C)O2)([O]=C(C(C)(C)C)O3)([O]=C(C(C)(C)C)O%14)OC(C(C)(C)C)=[O]%15)([O]=C(C(C)(C)C)O%12)OC(C(C)(C)C)=[O]%13)([O]=C(C(C)(C)C)O%10)OC(C(C)(C)C)=[O]%11)([O]=C(C(C)(C)C)O8)OC(C(C)(C)C)=[O]9)([O]=C(C(C)(C)C)O6)OC(C(C)(C)C)=[O]7)([O]=C(C(C)(C)C)O4)[O]=C(C(C)(C)C)O5)([O]1CCCC1)[O]1CCCC1.N#CC.CC#N.C1CCCO1
• Title of publication: Chromium Chains as Polydentate Fluoride Ligands for Lanthanides
• Authors of publication: Andrew McRobbie; Asad R. Sarwar; Steven Yeninas; Harriott Nowell; Michael L. Baker; David Allan; Marshall Luban; Christopher A. Muryn; Robin G. Pritchard; Ruslan Prozorov; Grigore A. Timco; Floriana Tuna; George F. S. Whitehead; Richard E. P. Winpenny
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6251
• a: 26.8824 ± 0.0003 Å
• b: 23.1806 ± 0.0003 Å
• c: 19.5962 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12211.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No