Crystallography Open Database

Information card for entry 1557438

Preview

Coordinates	1557438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C333 H250 F35 K2 N99 O100 Rh12 S7
Calculated formula	C335 F24 K2 N48 O43 Rh12 S8
Title of publication	s-Block metal ions induce structural transformations between figure-eight and double trefoil knots
Authors of publication	Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	5
Pages of publication	1226 - 1232
a	22.5096 ± 0.0015 Å
b	25.221 ± 0.002 Å
c	39.36 ± 0.003 Å
α	72.977 ± 0.003°
β	89.886 ± 0.004°
γ	76.76 ± 0.004°
Cell volume	20747 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 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	0.2025
Residual factor for significantly intense reflections	0.1885
Weighted residual factors for significantly intense reflections	0.4726
Weighted residual factors for all reflections included in the refinement	0.4884
Goodness-of-fit parameter for all reflections included in the refinement	2.124
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257310 (current)	2020-10-06	cif/ Updating files of 1557437, 1557438, 1557439, 1557440, 1557441 Original log message: Adding full bibliography for 1557437--1557441.cif.	1557438.cif
248748	2020-03-04	cif/ Adding structures of 1557437, 1557438, 1557439, 1557440, 1557441 via cif-deposit CGI script.	1557438.cif