Information card for entry 7106481

Structure parameters

• Formula: C153 H285 Cr12 F21 N2 O58 Y4
• Calculated formula: C153 H285 Cr12 F21 N2 O58 Y4
• SMILES: C1(C(C)(C)C)O[Cr]2345[F][Cr]67([F][Cr]89([F][Cr]%10%11([F][Cr]%12%13([F][Cr]%14%15([F][Y]%16%17%18%19([F]%20%21[Y]%22%23%24%25%26([F]%27[Y]%20([F]%16[Y]%16%20%21%27([F]%18)([F]%22)[F][Cr]%18%21([F][Cr]%22%27([F][Cr]%28%29([F][Cr]%30%31([F][Cr]%32%33([F][Cr]([F]%23)([O]=C(C(C)(C)C)O%25)([O]=C(C(C)(C)C)O%26)([O]=C(C(C)(C)C)O%32)OC(C(C)(C)C)=[O]%33)([O]=C(C(C)(C)C)O%30)OC(C(C)(C)C)=[O]%31)([O]=C(C(C)(C)C)O%28)OC(C(C)(C)C)=[O]%29)([O]=C(C(C)(C)C)O%22)OC(C(C)(C)C)=[O]%27)([O]=C(C(C)(C)C)O%18)OC(C(C)(C)C)=[O]%21)([O]=C(C(C)(C)C)O%16)OC(C(C)(C)C)=[O]%20)([F]%17)([F]2)([F]%24)(O1)OC(C(C)(C)C)=[O]3)[O]=C(C(C)(C)C)O%19)(OC(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)OC(C(C)(C)C)=[O]5.[NH2+](CC)CC.[NH2+](CC)CC
• 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: 18.485 ± 0.004 Å
• b: 23.817 ± 0.005 Å
• c: 28.73 ± 0.006 Å
• α: 103.809 ± 0.003°
• β: 99.436 ± 0.003°
• γ: 99.405 ± 0.003°
• Cell volume: 11843 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2569
• Weighted residual factors for all reflections included in the refinement: 0.2785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No