Crystallography Open Database

Information card for entry 4107744

Preview

Coordinates	4107744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H14 Cu N3 O
Calculated formula	C7 H14 Cu N3 O
Title of publication	Exceptional Framework Flexibility and Sorption Behavior of a Multifunctional Porous Cuprous Triazolate Framework
Authors of publication	Jie-Peng Zhang; Xiao-Ming Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	6010 - 6017
a	19.429 ± 0.0017 Å
b	19.429 ± 0.0017 Å
c	14.321 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	4681.7 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0587
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
178823 (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 4/10/77.	4107744.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107744.cif
55893	2012-05-07	cif/ Adding structures of 4107744 via cif-deposit CGI script.	4107744.cif