Crystallography Open Database

Information card for entry 4131681

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Coordinates	4131681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 N8 Ni O2
Calculated formula	C38 H28 N8 Ni O2
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	14.487 ± 0.002 Å
b	16.155 ± 0.002 Å
c	16.239 ± 0.002 Å
α	106.811 ± 0.005°
β	109.4 ± 0.005°
γ	109.306 ± 0.005°
Cell volume	3024.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0922
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1787
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
241854 (current)	2019-11-25	cif/ Adding structures of 4131681 via cif-deposit CGI script.	4131681.cif