Crystallography Open Database

Information card for entry 1564752

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Coordinates	1564752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H60 Fe2 N6 O16
Calculated formula	C49 H60 Fe2 N6 O16
Title of publication	Synthesis, crystal structures and properties of five novel coordination polymers and application in removing heavy metals from water
Authors of publication	Li, Kan; Li, Jing-jing; Zhao, Ni; Di, Bin; Ma, Ying; Xu, Li-li
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	507
Pages of publication	119598
a	11.1133 ± 0.0001 Å
b	11.5859 ± 0.0002 Å
c	20.9081 ± 0.0003 Å
α	96.936 ± 0.001°
β	90.563 ± 0.001°
γ	107.537 ± 0.001°
Cell volume	2545.13 ± 0.06 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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