Crystallography Open Database





Information card for 1100756

1100755 << 1100756 >> 1100757

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Coordinates

1100756.cif

Structure parameters

Formula - C78.5 H110.5 Cl3 Fe2 N8.5 O8 -
Calculated formula - C77.5 H109 Cl3 Fe2 N8 O8 -
Title of publication Multinuclear Fe(III) Complexes with Polydentate Ligands of the Family of Dicarboxyimidazoles: Nuclearity- and Topology-Controlled Syntheses and Magneto-Structural Correlations
Authors of publication Panagiotis Angaridis; Jeff W. Kampf; Vincent L. Pecoraro
Journal of publication Inorganic Chemistry
Year of publication 2005
Journal volume 44
Pages of publication 3626 - 3635
a 11.162 ± 0.003 Å
b 19.736 ± 0.004 Å
c 21.367 ± 0.005 Å
α 68.17 ± 0.004°
β 76.554 ± 0.004°
γ 74.682 ± 0.004°
Cell volume 4166.6 ± 1.7 Å3
Cell temperature 123 ± 2 K
Ambient diffraction temperature 123 ± 2 K
Number of distinct elements 6
Hermann-Mauguin symmetry space group P -1
Hall symmetry space group -P 1
Residual factor for all reflections 0.0787
Residual factor for observed reflections 0.0591
Weighted residual factors for the observed reflections 0.1742
Weighted residual factors for all reflections included in the refinement 0.1851
Goodness-of-fit parameter for observed reflections 1.08
Diffraction radiation wavelength 0.71073 Å
Diffraction radiation type MoKα
Has coordinates Yes
Has disorder Yes
Has Fobs No

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