Information card for entry 7106479

Structure parameters

• Formula: C140 H261 Cr12 F18 Gd2 N3 O52
• Calculated formula: C140 H261 Cr12 F18 Gd2 N3 O52
• SMILES: [Gd]1234567[F][Cr]89([F][Cr]%10%11([F][Cr]%12%13([F][Cr]%14%15([F][Cr]%16%17([F][Cr]%18%19([F][Gd]%20%21([F][Cr]%22%23([F][Cr]%24%25([F][Cr]%26%27([F][Cr]%28%29([F][Cr]%30%31([F][Cr]([F]4)([F]5)([O]=C(O%30)C(C)(C)C)(OC(=[O]%31)C(C)(C)C)[O]=C(O6)C(C)(C)C)([O]=C(O%28)C(C)(C)C)OC(=[O]%29)C(C)(C)C)([O]=C(O%26)C(C)(C)C)OC(=[O]%27)C(C)(C)C)([O]=C(O%24)C(C)(C)C)OC(=[O]%25)C(C)(C)C)([O]=C(O%22)C(C)(C)C)OC(=[O]%23)C(C)(C)C)([F]%20)OC(=[O]%21)C(C)(C)C)([F]%18)(OC(=[O]%19)C(C)(C)C)(OC(=[O]1)C(C)(C)C)[O]=C(O3)C(C)(C)C)([O]=C(O%16)C(C)(C)C)OC(=[O]%17)C(C)(C)C)([O]=C(O%14)C(C)(C)C)OC(=[O]%15)C(C)(C)C)([O]=C(O%12)C(C)(C)C)OC(=[O]%13)C(C)(C)C)([O]=C(O%10)C(C)(C)C)OC(=[O]%11)C(C)(C)C)([O]=C(O8)C(C)(C)C)OC(=[O]9)C(C)(C)C)([F]2)OC(=[O]7)C(C)(C)C.CC#N.C(C)[NH2+]CC.CC[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: 13.7868 ± 0.0005 Å
• b: 19.6213 ± 0.0006 Å
• c: 41.6885 ± 0.0011 Å
• α: 90°
• β: 95.757 ± 0.003°
• γ: 90°
• Cell volume: 11220.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1673
• Residual factor for significantly intense reflections: 0.1283
• Weighted residual factors for significantly intense reflections: 0.3273
• Weighted residual factors for all reflections included in the refinement: 0.352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No