Crystallography Open Database

Information card for entry 7049552

Preview

Coordinates	7049552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H39 N2 O3 Ru S2
Calculated formula	C35 H39 N2 O3 Ru S2
Title of publication	A 3,4-dimercapto-3-cyclobutene-1,2-dione-chelated ruthenium carbene catalyst for Z-stereoretentive/stereoselective olefin metathesis.
Authors of publication	Wang, Tao; Xie, Qingxiao; Guo, Weijie; Wu, Shutao; Zhang, Huiqing; Wang, Jianhui; Wu, Botao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	19
Pages of publication	6473 - 6483
a	19.3991 ± 0.0004 Å
b	11.4101 ± 0.0002 Å
c	31.8762 ± 0.0007 Å
α	90°
β	103.192 ± 0.002°
γ	90°
Cell volume	6869.5 ± 0.2 Å³
Cell temperature	135 ± 0.1 K
Ambient diffraction temperature	135 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
224180 (current)	2019-11-08	cif/ Updating files of 7049552 Original log message: Adding full bibliography for 7049552.cif.	7049552.cif
214458	2019-04-03	cif/ Adding structures of 7049552 via cif-deposit CGI script.	7049552.cif