Crystallography Open Database

Information card for entry 4519171

4519170 << 4519171 >> 4519172

Preview

Coordinates	4519171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H49 Cl2 N3 O Ru
Calculated formula	C41 H49 Cl2 N3 O Ru
SMILES	[Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(C(CC1(C)c1ccc(/N=N/c2ccccc2)cc1)(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Reversibly Photoswitchable Catalysts for Olefin Metathesis Reactions
Authors of publication	Park, Seongwook; Byun, Seunghwan; Ryu, Huijeoung; Hahm, Hyungwoo; Lee, Junseong; Hong, Sukwon
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	22
Pages of publication	13860 - 13865
a	11.2474 ± 0.0002 Å
b	12.9764 ± 0.0003 Å
c	13.8903 ± 0.0003 Å
α	112.797 ± 0.0009°
β	92.8492 ± 0.001°
γ	93.8959 ± 0.001°
Cell volume	1858.24 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.295
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271037 (current)	2021-12-03	cif/ Adding structures of 4519171 via cif-deposit CGI script.	4519171.cif