Crystallography Open Database

Information card for entry 4349666

Preview

Coordinates	4349666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H150 Mn Mo6 N5 O28
Calculated formula	C77 H134.994 Mn Mo6 N5 O28
Title of publication	Polyoxometalate-based supramolecular hydrogels constructed through host‒guest interactions
Authors of publication	Lin, Chang-Gen; Fura, Gizaw D.; Long, Yong; Xuan, Weimin; Song, Yu-Fei
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	5
Pages of publication	789
a	34.9964 ± 0.0017 Å
b	14.5543 ± 0.0006 Å
c	23.6151 ± 0.0008 Å
α	90°
β	126.024 ± 0.003°
γ	90°
Cell volume	9728.1 ± 0.8 Å³
Cell temperature	180.01 ± 0.1 K
Ambient diffraction temperature	180.01 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1453
Residual factor for significantly intense reflections	0.1142
Weighted residual factors for significantly intense reflections	0.2961
Weighted residual factors for all reflections included in the refinement	0.3255
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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