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Information card for 7015577

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Coordinates

7015577.cif

Structure parameters

Formula - C156 H338 Fe16 Gd4 N34 O104 -
Calculated formula - C144 H288 Fe16 Gd4 N24 O80 -
Title of publication Heterometallic 20-membered {Fe16Ln4} (Ln = Sm, Eu, Gd, Tb, Dy, Ho) metallo-ring aggregates.
Authors of publication Baniodeh, Amer; Hewitt, Ian J.; Mereacre, Valeriu; Lan, Yanhua; Novitchi, Ghenadie; Anson, Christopher E.; Powell, Annie K.
Journal of publication Dalton transactions (Cambridge, England : 2003)
Year of publication 2011
Journal volume 40
Journal issue 16
Pages of publication 4080 - 4086
a 27.7908 ± 0.0014 Å
b 27.9903 ± 0.0015 Å
c 31.269 ± 0.002 Å
α 90°
β 90°
γ 90°
Cell volume 24323 ± 2 Å3
Cell temperature 150 ± 2 K
Ambient diffraction temperature 150 ± 2 K
Number of distinct elements 6
Hermann-Mauguin symmetry space group C c c a :2
Hall symmetry space group -C 2a 2ac
Residual factor for all reflections 0.0697
Residual factor for observed reflections 0.0505
Weighted residual factors for the observed reflections 0.1172
Weighted residual factors for all reflections included in the refinement 0.1212
Goodness-of-fit parameter for observed reflections 0.991
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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