Crystallography Open Database

Information card for entry 1557441

Preview

Coordinates	1557441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C190 H252 Ba2 F30 N24 O60 Rh6 S14
Calculated formula	C175 H184 Ba2 F18 N24 O32 Rh6 S7
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	72.911 ± 0.005 Å
b	20.9282 ± 0.0014 Å
c	33.246 ± 0.002 Å
α	90°
β	106.419 ± 0.002°
γ	90°
Cell volume	48661 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.05 K
Number of distinct elements	8
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	0.1012
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2998
Weighted residual factors for all reflections included in the refinement	0.313
Goodness-of-fit parameter for all reflections included in the refinement	1.346
Diffraction radiation wavelength	1.34138 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.	1557441.cif
248748	2020-03-04	cif/ Adding structures of 1557437, 1557438, 1557439, 1557440, 1557441 via cif-deposit CGI script.	1557441.cif