Crystallography Open Database

Information card for entry 1557437

Preview

Coordinates	1557437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C172 H168 Ca F21 N24 O30 Rh6 S7
Calculated formula	C169 H168 Ca F12 N24 O21 Rh6 S4
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	23.302 ± 0.005 Å
b	23.302 ± 0.005 Å
c	21.347 ± 0.004 Å
α	90 ± 0.03°
β	90 ± 0.03°
γ	120 ± 0.03°
Cell volume	10038 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1621
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	1557437.cif
248748	2020-03-04	cif/ Adding structures of 1557437, 1557438, 1557439, 1557440, 1557441 via cif-deposit CGI script.	1557437.cif