Crystallography Open Database

Information card for entry 1556830

Preview

Coordinates	1556830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 Cd2 I4 N O2 S2
Calculated formula	C29 H27 Cd2 I4 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	23.3017 ± 0.0006 Å
b	13.4569 ± 0.0004 Å
c	26.9935 ± 0.0007 Å
α	90°
β	102.963 ± 0.001°
γ	90°
Cell volume	8248.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0535
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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.	1556830.cif