Information card for entry 7106480

Structure parameters

• Formula: C153 H285 Cr12 F21 Gd4 N2 O58
• Calculated formula: C153 H285 Cr12 F21 Gd4 N2 O58
• 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][Gd]%16%17%18%19([F]%20%21[Gd]%22%23([F]%16[Gd]%16%24%25%26%20([F]%18)[F][Gd]%18%20%21([F]%22)([F][Cr]%21%22([F][Cr]%27%28([F][Cr]%29%30([F][Cr]%31%32([F][Cr]%33%34([F][Cr]([F]%16)([O]=C(C(C)(C)C)O%25)([O]=C(C(C)(C)C)O%26)([O]=C(C(C)(C)C)O%33)[O]=C(C(C)(C)C)O%34)([O]=C(C(C)(C)C)O%31)[O]=C(C(C)(C)C)O%32)([O]=C(C(C)(C)C)O%29)[O]=C(C(C)(C)C)O%30)([O]=C(C(C)(C)C)O%27)[O]=C(C(C)(C)C)O%28)([O]=C(C(C)(C)C)O%21)[O]=C(C(C)(C)C)O%22)([O]=C(C(C)(C)C)O%18)[O]=C(C(C)(C)C)O%20)([F]%23%24)OC(C(C)(C)C)=[O]%19)([F]%17)([F]2)(O1)OC(C(C)(C)C)=[O]3)(OC(C(C)(C)C)=[O]%14)OC(C(C)(C)C)=[O]%15)([O]=C(C(C)(C)C)O%12)[O]=C(C(C)(C)C)O%13)([O]=C(C(C)(C)C)O%10)[O]=C(C(C)(C)C)O%11)([O]=C(C(C)(C)C)O8)[O]=C(C(C)(C)C)O9)([O]=C(C(C)(C)C)O6)[O]=C(C(C)(C)C)O7)([O]=C(C(C)(C)C)O4)[O]=C(C(C)(C)C)O5.C(C)[NH2+]CC.C(C)[NH2+]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: 18.493 ± 0.007 Å
• b: 23.672 ± 0.009 Å
• c: 28.318 ± 0.012 Å
• α: 104.74 ± 0.004°
• β: 99.892 ± 0.003°
• γ: 99.161 ± 0.006°
• Cell volume: 11539 ± 8 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: 0.1287
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No