Crystallography Open Database

Information card for entry 1544987

Preview

Coordinates	1544987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 Cu N5 O6 S2
Calculated formula	C17 H15 Cu N5 O6 S2
Title of publication	Anion exchange coupled with the reduction and dimerisation of a copper(ii) nitrate complex of tripyridyl dithioether via a single-crystal-to-single-crystal transformation
Authors of publication	Lee, Hyeong-Hwan; Park, In-Hyeok; Kim, Seulgi; Lee, Eunji; Ju, Huiyeong; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	4
Pages of publication	2592
a	17.889 ± 0.0001 Å
b	12.2339 ± 0.0001 Å
c	20.7705 ± 0.0003 Å
α	90°
β	101.703 ± 0.001°
γ	90°
Cell volume	4451.18 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.028
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
195004 (current)	2017-04-05	cif/ Updating files of 1544983, 1544984, 1544985, 1544986, 1544987, 1544988, 1544989 Original log message: Adding full bibliography for 1544983--1544989.cif.	1544987.cif
189807	2017-01-04	cif/ Adding structures of 1544983, 1544984, 1544985, 1544986, 1544987, 1544988, 1544989 via cif-deposit CGI script.	1544987.cif