Crystallography Open Database

Information card for entry 7225288

Preview

Coordinates	7225288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H33 B2 F8 Ir N4 O2
Calculated formula	C18 H33 B2 F8 Ir N4 O2
Title of publication	Base-free hydrogenation of CO2to formic acid in water with an iridium complex bearing a N,N′-diimine ligand
Authors of publication	Lu, Sheng-Mei; Wang, Zhijun; Li, Jun; Xiao, Jianliang; Li, Can
Journal of publication	Green Chem.
Year of publication	2016
Journal volume	18
Journal issue	16
Pages of publication	4553
a	8.6729 ± 0.0015 Å
b	11.3034 ± 0.0019 Å
c	13.751 ± 0.002 Å
α	85.039 ± 0.003°
β	74.421 ± 0.003°
γ	78.507 ± 0.003°
Cell volume	1271.7 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.068
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
186446 (current)	2016-09-10	cif/ Updating files of 7225288 Original log message: Adding full bibliography for 7225288.cif.	7225288.cif
183039	2016-05-20	cif/ Adding structures of 7225288 via cif-deposit CGI script.	7225288.cif