Crystallography Open Database

Information card for entry 7700848

Preview

Coordinates	7700848.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H50.5 Cl3 F3 N O5.25 P Ru S2 Se2
Calculated formula	C46.5 H50 Cl3 F3 N O5.25 P Ru S2 Se2
Title of publication	4-Coordinated, 14-electron ruthenium(ii) chalcogenolate complexes: synthesis, electronic structure and reactions with PhICl<sub>2</sub> and organic azides.
Authors of publication	Ng, Wai-Ming; Guo, Xueying; Cheung, Wai-Man; So, Yat-Ming; Chong, Man-Chun; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	35
Pages of publication	13315 - 13325
a	12.4019 ± 0.0005 Å
b	20.0163 ± 0.0008 Å
c	20.6971 ± 0.0008 Å
α	76.926 ± 0.003°
β	88.118 ± 0.003°
γ	89.849 ± 0.003°
Cell volume	5001.9 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
224505 (current)	2019-11-08	cif/ Updating files of 7700845, 7700846, 7700847, 7700848, 7700849, 7700850, 7700851 Original log message: Adding full bibliography for 7700845--7700851.cif.	7700848.cif
217550	2019-08-16	cif/ Adding structures of 7700845, 7700846, 7700847, 7700848, 7700849, 7700850, 7700851 via cif-deposit CGI script.	7700848.cif