Crystallography Open Database

Information card for entry 7111500

Preview

Coordinates	7111500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H3 Cu N2
Calculated formula	C3 H3 Cu N2
Title of publication	Crystal engineering of binary metal imidazolate and triazolate frameworks
Authors of publication	Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	16
Pages of publication	1689 - 1699
a	16.1207 ± 0.0017 Å
b	16.1229 ± 0.0017 Å
c	13.1021 ± 0.0014 Å
α	90°
β	99.85 ± 0.002°
γ	90°
Cell volume	3355.2 ± 0.6 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1084
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111500.cif
96548	2014-01-29	cif/ Adding structures of 7111500 via cif-deposit CGI script.	7111500.cif