Crystallography Open Database

Information card for entry 4104192

Preview

Coordinates	4104192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 Cu N3
Calculated formula	C6 H10 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	19.7501 ± 0.0013 Å
b	19.7501 ± 0.0013 Å
c	14.1928 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	4794.4 ± 0.6 Å³
Cell temperature	195 ± 2 K
Ambient diffraction temperature	195 ± 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	0.0442
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0919
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178787 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/41.	4104192.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104192.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104192.cif
28705	2011-11-01	../uploads/cif-deposit/cod/cif Adding structures of 4104192 via cif-deposit CGI script.	4104192.cif