Crystallography Open Database

Information card for entry 7126811

Preview

Coordinates	7126811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H41 F6 Ir N3 O P3
Calculated formula	C22 H41 F6 Ir N3 O P3
Title of publication	Surprisingly big linker-dependence of activity and selectivity in CO<sub>2</sub> reduction by an iridium(i) pincer complex.
Authors of publication	Hu, Gongfang; Jiang, Jianbing Jimmy; Kelly, H. Ray; Matula, Adam J.; Wu, Yueshen; Romano, Neyen; Mercado, Brandon Q.; Wang, Hailiang; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	64
Pages of publication	9126 - 9129
a	11.5628 ± 0.0002 Å
b	11.2503 ± 0.0002 Å
c	22.9994 ± 0.0005 Å
α	90°
β	93.55 ± 0.002°
γ	90°
Cell volume	2986.14 ± 0.1 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
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	0.0492
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
255969 (current)	2020-09-06	cif/ Updating files of 7126811, 7126812 Original log message: Adding full bibliography for 7126811--7126812.cif.	7126811.cif
253681	2020-07-03	cif/ Adding structures of 7126811, 7126812 via cif-deposit CGI script.	7126811.cif