Crystallography Open Database

Information card for entry 4511131

Preview

Coordinates	4511131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H17 Cu2 N8 S2
Calculated formula	C26 H17 Cu2 N8 S2
Title of publication	Solvothermal Synthesis and Diverse Coordinate Structures of a Series of Luminescent Copper(I) Thiocyanate Coordination Polymers Based on N-Heterocyclic Ligands
Authors of publication	Li, Ming-Xing; Wang, Hui; Liang, Sheng-Wen; Shao, Min; He, Xiang; Wang, Zhao-Xi; Zhu, Shou-Rong
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	11
Pages of publication	4626 - 4633
a	18.1048 ± 0.0014 Å
b	10.3065 ± 0.0008 Å
c	26.212 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4891.1 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179658 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/11.	4511131.cif
132558	2015-02-28	cif/4/51/ (antanas@koala.ibt.lt) Removing trailing "glued" text strings from the values of '_refine_diff_density_rms' tag for CIFs 451112[6-9], 451113[01].	4511131.cif
114710	2014-05-29	cif/ Adding structures of 4511126, 4511127, 4511128, 4511129, 4511130, 4511131 via cif-deposit CGI script.	4511131.cif