Crystallography Open Database

Information card for entry 4131680

Preview

Coordinates	4131680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 N8 Ni O3.6 Re0.4
Calculated formula	C38 H28 N8 Ni O3.6 Re0.4
Title of publication	Identifying the Recognition Site for Selective Trapping of <sup>99</sup>TcO<sub>4</sub><sup>-</sup> in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.
Authors of publication	Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	42
Pages of publication	14873 - 14876
a	14.689 ± 0.003 Å
b	16.134 ± 0.004 Å
c	16.338 ± 0.004 Å
α	105.911 ± 0.006°
β	109.936 ± 0.006°
γ	109.388 ± 0.006°
Cell volume	3088.7 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.2279
Weighted residual factors for all reflections included in the refinement	0.2488
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
241853 (current)	2019-11-25	cif/ Adding structures of 4131680 via cif-deposit CGI script.	4131680.cif