Crystallography Open Database

Information card for entry 7041184

Preview

Coordinates	7041184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H81 Cl8 F7 N6 O4 Ru2
Calculated formula	C70 H81 Cl8 F7 N6 O4 Ru2
Title of publication	Highly efficient nitrogen chelated ruthenium carbene metathesis catalysts.
Authors of publication	Duan, Yulian; Wang, Tao; Xie, Qingxiao; Yu, Xiaobo; Guo, Weijie; Wang, Jianhui; Liu, Guiyan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	48
Pages of publication	19441 - 19448
a	16.0736 ± 0.0009 Å
b	15.5696 ± 0.0006 Å
c	16.6456 ± 0.0008 Å
α	90°
β	116.71 ± 0.007°
γ	90°
Cell volume	3721.2 ± 0.4 Å³
Cell temperature	100.1 ± 0.4 K
Ambient diffraction temperature	100.1 ± 0.4 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
190127 (current)	2017-01-09	cif/ Updating files of 7041184 Original log message: Adding full bibliography for 7041184.cif.	7041184.cif
188444	2016-11-15	cif/ Adding structures of 7041184 via cif-deposit CGI script.	7041184.cif