Crystallography Open Database

Information card for entry 4517719

Preview

Coordinates	4517719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 Ir N O2 P2
Calculated formula	C22 H36 Ir N O2 P2
Title of publication	N-Bridged Pincer Iridium Complexes for Highly Efficient Alkane Dehydrogenation and the Relevant Linker Effects
Authors of publication	Zhang, Xin; Wu, Song-Bai; Leng, Xuebing; Chung, Lung Wa; Liu, Guixia; Huang, Zheng
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	6475 - 6487
a	13.6088 ± 0.0002 Å
b	11.1953 ± 0.0002 Å
c	15.5695 ± 0.0003 Å
α	90°
β	100.675 ± 0.001°
γ	90°
Cell volume	2331.03 ± 0.07 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.01 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	0.0196
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257059 (current)	2020-10-04	cif/ Updating files of 4517711, 4517712, 4517713, 4517714, 4517715, 4517716, 4517717, 4517718, 4517719, 4517720, 4517721 Original log message: Adding full bibliography for 4517711--4517721.cif.	4517719.cif
252386	2020-05-28	cif/ Adding structures of 4517719 via cif-deposit CGI script.	4517719.cif