Crystallography Open Database

Information card for entry 4104190

Preview

Coordinates	4104190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Cu N3
Calculated formula	C8 H12 Cu N3
Title of publication	Optimized Acetylene/Carbon Dioxide Sorption in a Dynamic Porous Crystal
Authors of publication	Jie-Peng Zhang; Xiao-Ming Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	5516 - 5521
a	19.6972 ± 0.0009 Å
b	19.6972 ± 0.0009 Å
c	14.2478 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	4787.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4104190.html