Crystallography Open Database

Information card for entry 4517718

Preview

Coordinates	4517718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H37 Ir O2 P2 S0.99
Calculated formula	C20 H37 Ir O2 P2 S0.99
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	19.059 ± 0.013 Å
b	8.033 ± 0.005 Å
c	16.181 ± 0.011 Å
α	90°
β	92.063 ± 0.011°
γ	90°
Cell volume	2476 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1561
Residual factor for significantly intense reflections	0.1095
Weighted residual factors for significantly intense reflections	0.2384
Weighted residual factors for all reflections included in the refinement	0.2608
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
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.	4517718.cif
252385	2020-05-28	cif/ Adding structures of 4517718 via cif-deposit CGI script.	4517718.cif