Crystallography Open Database

Information card for entry 1557476

Preview

Coordinates	1557476.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4
Formula	C36 H46 Cl2 N3 Ru
Calculated formula	C36 H46 Cl2 N3 Ru
SMILES	[Ru]1(Cl)(Cl)([N](=CC(CC=1)(C)C)C1Cc2ccccc2C1)C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	An additional potential donor-bearing alkylidene-containing latent NHC‒ruthenium-based catalyst for olefin metathesis polymerization
Authors of publication	Sivanesan, Dharmalingam; Seo, Bongkuk; Lim, Choong-Sun; Choi, Dongchen; Kim, Taehee; Kim, Hyeon-Gook
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	14
Pages of publication	2511 - 2518
a	13.6977 ± 0.0004 Å
b	11.9911 ± 0.0003 Å
c	21.2056 ± 0.0005 Å
α	90°
β	96.908 ± 0.001°
γ	90°
Cell volume	3457.75 ± 0.16 Å³
Cell temperature	296 ± 1 K
Ambient diffraction temperature	296 ± 1 K
Number of distinct elements	5
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	0.0617
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
257945 (current)	2020-10-06	cif/ Updating files of 1557476 Original log message: Adding full bibliography for 1557476.cif.	1557476.cif
251740	2020-05-05	cif/ Updating files of 1557476 Original log message: Adding full bibliography for 1557476.cif.	1557476.cif
249071	2020-03-05	cif/ Adding structures of 1557476 via cif-deposit CGI script.	1557476.cif