Crystallography Open Database

Information card for entry 2242843

Preview

Structure parameters

Chemical name	[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium
Formula	C32 H41 Cl2 N3 Ru
Calculated formula	C32 H41 Cl2 N3 Ru
SMILES	[Ru]1(Cl)(Cl)([N](C(C)c2ccccc2C=1)(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Crystal structure of [1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]dichlorido{2-[1-(dimethylamino)ethyl]benzylidene}ruthenium including an unknown solvate
Authors of publication	Polyanskii, Kirill B.; Alekseeva, Kseniia A.; Kumandin, Pavel A.; Atioğlu, Zeliha; Akkurt, Mehmet; Toze, Flavien A. A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	3
Pages of publication	342 - 345
a	35.8175 ± 0.0017 Å
b	10.5633 ± 0.0005 Å
c	24.0946 ± 0.0011 Å
α	90°
β	131.781 ± 0.002°
γ	90°
Cell volume	6797.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
213577 (current)	2019-02-09	cif/ hkl/ Adding structures of 2242843 via cif-deposit CGI script.	2242843.cif 2242843.hkl