Crystallography Open Database

Information card for entry 1549565

Preview

Coordinates	1549565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H46 Cl4 Os P2 Si
Calculated formula	C49 H46 Cl4 Os P2 Si
SMILES	[Os]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)=C=C([Si](C)(C)C)c2c(C=1)cccc2.ClCCl
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	11.60758 ± 0.00019 Å
b	16.9798 ± 0.0003 Å
c	22.4892 ± 0.0004 Å
α	90°
β	94.829 ± 0.0015°
γ	90°
Cell volume	4416.76 ± 0.13 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1549565.cif
208500	2018-06-19	cif/ Adding structures of 1549565, 1549566, 1549567 via cif-deposit CGI script.	1549565.cif