Crystallography Open Database

Information card for entry 4516656

Preview

Coordinates	4516656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H38 Br4 N O28.5 Th4
Calculated formula	C71 H38 Br4 N O28.5066 Th4
Title of publication	Synthetic Control of Thorium Polyoxo-Clusters in Metal‒Organic Frameworks toward New Thorium-Based Materials
Authors of publication	Li, Peng; Wang, Xingjie; Otake, Ken-ichi; Lyu, Jiafei; Hanna, Sylvia L.; Islamoglu, Timur; Farha, Omar K.
Journal of publication	ACS Applied Nano Materials
Year of publication	2019
Journal volume	2
Journal issue	4
Pages of publication	2260
a	27.0704 ± 0.0008 Å
b	27.0704 ± 0.0008 Å
c	33.5896 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	21316.9 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1543
Weighted residual factors for all reflections included in the refinement	0.1654
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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