Crystallography Open Database

Information card for entry 1549566

Preview

Coordinates	1549566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H48 Cl4 Os P2 Si
Calculated formula	C53 H48 Cl4 Os P2 Si
Title of publication	Facile synthesis of polycyclic metallaarynes.
Authors of publication	Ruan, Wenqing; Leung, Tsz-Fai; Shi, Chuan; Lee, Ka Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	27
Pages of publication	5994 - 5998
a	13.9889 ± 0.0002 Å
b	16.453 ± 0.0002 Å
c	21.3301 ± 0.0003 Å
α	90°
β	97.273 ± 0.001°
γ	90°
Cell volume	4869.82 ± 0.11 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	I 1 2 1
Hall space group symbol	I 2y
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228664 (current)	2019-11-17	cif/ Updating files of 1549565, 1549566, 1549567 Original log message: Adding full bibliography for 1549565--1549567.cif.	1549566.cif
208500	2018-06-19	cif/ Adding structures of 1549565, 1549566, 1549567 via cif-deposit CGI script.	1549566.cif