Crystallography Open Database

Information card for entry 4135632

Preview

Coordinates	4135632.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	11
Formula	C6 H3 Cu N4
Calculated formula	C6 H3 Cu N4
Title of publication	Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.
Authors of publication	Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie
Journal of publication	Journal of the American Chemical Society
Year of publication	2021
Journal volume	143
Journal issue	23
Pages of publication	8654 - 8660
a	10.9436 ± 0.0011 Å
b	8.6154 ± 0.001 Å
c	10.0156 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	944.31 ± 0.17 Å³
Cell temperature	120 ± 3 K
Ambient diffraction temperature	120 ± 3 K
Number of distinct elements	4
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1232
Residual factor for significantly intense reflections	0.0836
Weighted residual factors for significantly intense reflections	0.2217
Weighted residual factors for all reflections included in the refinement	0.2574
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
266969 (current)	2021-07-04	cif/ Updating files of 4135632, 4135633, 4135634, 4135635 Original log message: Adding full bibliography for 4135632--4135635.cif.	4135632.cif
265738	2021-06-04	cif/ Adding structures of 4135632 via cif-deposit CGI script.	4135632.cif