Crystallography Open Database

Information card for entry 4325726

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Coordinates	4325726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H67 Fe Mn3 N13 O11
Calculated formula	C62 H67 Fe Mn3 N13 O11
Title of publication	Synthesis, Structure, and Magnetic Properties of Three 1D Chain Complexes Based on High-Spin Metal-Cyanide Clusters: [MnIII6MIII] (M = Cr, Fe, Co)
Authors of publication	Hong-Bo Zhou; Jun Wang; Hui-Sheng Wang; Yong-Lu Xu; Xiao-Jiao Song; You Song; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6868 - 6877
a	13.5618 ± 0.0015 Å
b	15.2016 ± 0.0017 Å
c	17.6478 ± 0.0019 Å
α	70.277 ± 0.002°
β	76.339 ± 0.002°
γ	86.548 ± 0.002°
Cell volume	3327.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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