Crystallography Open Database

Information card for entry 2242416

Preview

Coordinates	2242416.cif
Structure factors	2242416.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichlorido(η^6^-<i>p</i>-cymene)(2'-dicyclohexylphosphanyl-2,6-dimethoxybiphenyl-κ<i>P</i>)ruthenium(II)
Formula	C36 H49 Cl2 O2 P Ru
Calculated formula	C36 H49 Cl2 O2 P Ru
SMILES	[Ru]12345(Cl)(Cl)([P](c6c(cccc6)c6c(OC)cccc6OC)(C6CCCCC6)C6CCCCC6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C
Title of publication	Synthesis, crystal structure and catalytic activity in reductive amination of dichlorido(η^6^-<i>p</i>-cymene)(2'-dicyclohexylphosphanyl-2,6-dimethoxybiphenyl-κ<i>P</i>)ruthenium(II)
Authors of publication	Makarova, Maria; Tsygankov, Alexey A.; Chusova, Olga; Linko, Ivan V.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	4
Pages of publication	487 - 491
a	19.79 ± 0.004 Å
b	19.95 ± 0.004 Å
c	20.225 ± 0.004 Å
α	90°
β	118.17 ± 0.03°
γ	90°
Cell volume	7039 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.9626 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
206888 (current)	2018-03-10	cif/ hkl/ Adding structures of 2242416 via cif-deposit CGI script.	2242416.cif 2242416.hkl