Crystallography Open Database

Information card for entry 4503159

Preview

Coordinates	4503159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cu3 I N6
Calculated formula	C12 H8 Cu3 I N6
Title of publication	Anionic CunInCluster-Based Architectures Induced by In Situ GeneratedN-Alkylated Cationic Triazolium Salts
Authors of publication	Wu, Tao; Li, Mian; Li, Dan; Huang, Xiao-Chun
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	568
a	11.639 ± 0.0007 Å
b	29.7697 ± 0.0019 Å
c	4.1222 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1428.3 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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
179562 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31.	4503159.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503159.cif
41387	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503156, 4503157, 4503158, 4503159 via cif-deposit CGI script.	4503159.cif