Crystallography Open Database

Information card for entry 4503158

Preview

Coordinates	4503158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Cu6 I5 N9
Calculated formula	C10 H16 Cu6 I5 N9
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	10.6931 ± 0.001 Å
b	14.4122 ± 0.0015 Å
c	17.5869 ± 0.0017 Å
α	90°
β	102.795 ± 0.002°
γ	90°
Cell volume	2643 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1121
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1478
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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.	4503158.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503158.cif
41387	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503156, 4503157, 4503158, 4503159 via cif-deposit CGI script.	4503158.cif