Crystallography Open Database

Information card for entry 7700849

Preview

Coordinates	7700849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H68 N O2 P Ru S3
Calculated formula	C55 H68 N O2 P Ru S3
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	20.843 ± 0.0004 Å
b	13.9235 ± 0.0002 Å
c	18.763 ± 0.0004 Å
α	90°
β	107.128 ± 0.002°
γ	90°
Cell volume	5203.67 ± 0.18 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	7
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	0.0715
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
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.	7700849.cif
217550	2019-08-16	cif/ Adding structures of 7700845, 7700846, 7700847, 7700848, 7700849, 7700850, 7700851 via cif-deposit CGI script.	7700849.cif