Crystallography Open Database

Information card for entry 4332618

Preview

Coordinates	4332618.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cu3 I3 N6
Calculated formula	C18 H12 Cu3 I3 N6
Title of publication	Cu(I) or Cu(I)−Cu(II) Mixed-Valence Complexes of 2,4,6-Tri(2-pyridyl)-1,3,5-triazine: Syntheses, Structures, and Theoretical Study of the Hydrolytic Reaction Mechanism
Authors of publication	Zhou, Xiao-Ping; Li, Dan; Zheng, Shao-Liang; Zhang, Xuanjun; Wu, Tao
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	18
Pages of publication	7119 - 7125
a	7.062 ± 0.0007 Å
b	12.5728 ± 0.0012 Å
c	13.6359 ± 0.0013 Å
α	68.499 ± 0.001°
β	80.147 ± 0.002°
γ	82.043 ± 0.002°
Cell volume	1106.06 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179429 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/26.	4332618.cif
98430	2014-01-30	cif/ Adding structures of 4332617, 4332618, 4332619, 4332620, 4332621 via cif-deposit CGI script.	4332618.cif