Crystallography Open Database

Information card for entry 4082379

Preview

Coordinates	4082379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H33 Cl5 F6 N5 P Ru
Calculated formula	C37 H33 Cl5 F6 N5 P Ru
Title of publication	Ruthenium Complex Catalysts Supported by a Bis(trifluoromethyl)pyrazolyl‒Pyridyl-Based NNN Ligand for Transfer Hydrogenation of Ketones
Authors of publication	Du, Wangming; Wang, Qingfu; Wang, Liandi; Yu, Zhengkun
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	974
a	8.6359 ± 0.0005 Å
b	21.8818 ± 0.0013 Å
c	20.8278 ± 0.0012 Å
α	90°
β	97.971 ± 0.001°
γ	90°
Cell volume	3897.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0557
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
178712 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/23.	4082379.cif
104390	2014-03-11	cif/ Adding structures of 4082379 via cif-deposit CGI script.	4082379.cif