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Information card for 7015713

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Coordinates

7015713.cif

Structure parameters

Formula - C59 H81 F6 Fe N3 O9 S2 -
Calculated formula - C59 H81 F6 Fe N3 O9 S2 -
Title of publication Synthesis and Characterization of Sterically Encumbered β-Ketoiminate Complexes of Iron(ii) and Zinc(ii).
Authors of publication Granum, David M.; Riedel, Paul J.; Crawford, Joshua A.; Mahle, Thomas K.; Wyss, Chelsea M.; Begej, Anastasia K.; Arulsamy, Navamoney; Pierce, Brad S.; Mehn, Mark P.
Journal of publication Dalton transactions (Cambridge, England : 2003)
Year of publication 2011
Journal volume 40
Journal issue 22
Pages of publication 5881 - 5890
a 10.9902 ± 0.0009 Å
b 15.5889 ± 0.0013 Å
c 18.9999 ± 0.0015 Å
α 76.706 ± 0.004°
β 86.343 ± 0.004°
γ 83.931 ± 0.004°
Cell volume 3147.6 ± 0.4 Å3
Cell temperature 150 ± 2 K
Ambient diffraction temperature 150 ± 2 K
Number of distinct elements 7
Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Residual factor for all reflections 0.0572
Residual factor for observed reflections 0.0392
Weighted residual factors for the observed reflections 0.0937
Weighted residual factors for all reflections included in the refinement 0.1037
Goodness-of-fit parameter for observed reflections 1.019
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder No
Has Fobs No

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