Crystallography Open Database

Information card for entry 7036684

Preview

Coordinates	7036684.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SCU-3
Formula	C42 H24 O19 P2 U2
Calculated formula	C42 H24 O19 P2 U2
Title of publication	Design and synthesis of a chiral uranium-based microporous metal organic framework with high SHG efficiency and sequestration potential for low-valent actinides.
Authors of publication	Wang, Yanlong; Li, Yuxiang; Bai, Zhuanling; Xiao, Chengliang; Liu, Zhiyong; Liu, Wei; Chen, Lanhua; He, Weiwei; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	43
Pages of publication	18810 - 18814
a	19.552 ± 0.003 Å
b	21.898 ± 0.004 Å
c	25.297 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	10831 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	24
Hermann-Mauguin space group symbol	I 21 21 21
Hall space group symbol	I 2b 2c
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.126
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171224 (current)	2015-12-09	cif/ Updating files of 7036684 Original log message: Adding full bibliography for 7036684.cif.	7036684.cif
159044	2015-09-30	cif/ Adding structures of 7036684 via cif-deposit CGI script.	7036684.cif