Crystallography Open Database

Information card for entry 4511127

Preview

Coordinates	4511127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H10 Cu N7 S
Calculated formula	C13 H10 Cu N7 S
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	9.6339 ± 0.0009 Å
b	14.4436 ± 0.0013 Å
c	10.0795 ± 0.0009 Å
α	90°
β	101.732 ± 0.001°
γ	90°
Cell volume	1373.2 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	4511127.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].	4511127.cif
114710	2014-05-29	cif/ Adding structures of 4511126, 4511127, 4511128, 4511129, 4511130, 4511131 via cif-deposit CGI script.	4511127.cif