Crystallography Open Database

Information card for entry 4330342

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Coordinates	4330342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C190 H302 Fe20 N6 O76
Calculated formula	C186 H288 Fe20 N4 O76
Title of publication	Fe20 Cluster Units Based Coordination Polymer from in Situ Ligand Conversion and Trapping of an Intermediate
Authors of publication	Yong-Fei Zeng; Xin Hu; Li Xue; Sui-Jun Liu; Tong-Liang Hu; Xian-He Bu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9571 - 9573
a	17.812 ± 0.005 Å
b	31.648 ± 0.008 Å
c	20.691 ± 0.006 Å
α	90°
β	107.847 ± 0.004°
γ	90°
Cell volume	11103 ± 5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1695
Residual factor for significantly intense reflections	0.1215
Weighted residual factors for significantly intense reflections	0.3041
Weighted residual factors for all reflections included in the refinement	0.3437
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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