Crystallography Open Database

Information card for entry 4503156

Preview

Coordinates	4503156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H64 Cu19 I20 N30
Calculated formula	C68 H64 Cu19 I23 N30
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	28.4132 ± 0.0007 Å
b	28.4132 ± 0.0007 Å
c	14.0586 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	11349.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	138
Hermann-Mauguin space group symbol	P 42/n c m :2
Hall space group symbol	-P 4ac 2ac
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1698
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	4503156.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503156.cif
41387	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503156, 4503157, 4503158, 4503159 via cif-deposit CGI script.	4503156.cif