Crystallography Open Database

Information card for entry 1556833

Preview

Coordinates	1556833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 Cd Cu I3 N O2 S2
Calculated formula	C29 H27 Cd Cu I3 N O2 S2
Title of publication	Snapshot and crystallographic observations of kinetic and thermodynamic products for NO<sub>2</sub>S<sub>2</sub> macrocyclic complexes.
Authors of publication	Park, In-Hyeok; Kang, Yunji; Lee, Eunji; Ju, Huiyeong; Kim, Seulgi; Seo, Sujin; Jung, Jong Hwa; Lee, Shim Sung
Journal of publication	IUCrJ
Year of publication	2018
Journal volume	5
Journal issue	Pt 1
Pages of publication	45 - 53
a	8.9645 ± 0.0002 Å
b	14.4098 ± 0.0003 Å
c	14.8826 ± 0.0003 Å
α	65.853 ± 0.001°
β	73.386 ± 0.001°
γ	81.546 ± 0.001°
Cell volume	1680.04 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0194
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0377
Weighted residual factors for all reflections included in the refinement	0.0389
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
246061 (current)	2019-12-26	cif/ Adding structures of 1556829, 1556830, 1556831, 1556832, 1556833 via cif-deposit CGI script.	1556833.cif