Crystallography Open Database

Information card for entry 4332617

Preview

Coordinates	4332617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cu2 I2 N6
Calculated formula	C18 H12 Cu2 I2 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	11.523 ± 0.0015 Å
b	14.7026 ± 0.0018 Å
c	12.0369 ± 0.0015 Å
α	90°
β	93.025 ± 0.002°
γ	90°
Cell volume	2036.4 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0414
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4332617.cif
98430	2014-01-30	cif/ Adding structures of 4332617, 4332618, 4332619, 4332620, 4332621 via cif-deposit CGI script.	4332617.cif