Crystallography Open Database

Information card for entry 7240091

Preview

Coordinates	7240091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H34 Cl3 F6 N5 P Ru
Calculated formula	C43 H34 Cl3 F6 N5 P Ru
Title of publication	The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst
Authors of publication	Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	7
Pages of publication	2279 - 2287
a	13.592 ± 0.0011 Å
b	13.6081 ± 0.0011 Å
c	14.0589 ± 0.0012 Å
α	64.306 ± 0.002°
β	73.922 ± 0.004°
γ	64.168 ± 0.003°
Cell volume	2096.6 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257614 (current)	2020-10-06	cif/ Updating files of 7240089, 7240090, 7240091 Original log message: Adding full bibliography for 7240089--7240091.cif.	7240091.cif
251674	2020-05-05	cif/ Updating files of 7240089, 7240090, 7240091 Original log message: Adding full bibliography for 7240089--7240091.cif.	7240091.cif
249173	2020-03-07	cif/ Adding structures of 7240089, 7240090, 7240091 via cif-deposit CGI script.	7240091.cif