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Information card for 7015578

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Coordinates

7015578.cif

Structure parameters

Formula - C156 H338 Dy4 Fe16 N34 O104 -
Calculated formula - C156 H288 Dy4 Fe16 N34 O104 -
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 27.7714 ± 0.0011 Å
b 28.0818 ± 0.0011 Å
c 30.6492 ± 0.0013 Å
α 90°
β 90°
γ 90°
Cell volume 23902.4 ± 1.7 Å3
Cell temperature 100 ± 2 K
Ambient diffraction temperature 100 ± 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 0.0598
Residual factor for observed reflections 0.0508
Weighted residual factors for the observed reflections 0.1713
Weighted residual factors for all reflections included in the refinement 0.1858
Goodness-of-fit parameter for observed reflections 1.115
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder Yes
Has Fobs No

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