Crystallography Open Database

Information card for entry 4517712

Preview

Coordinates	4517712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H36 Ir N O2 P2
Calculated formula	C21 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	36.27 ± 0.002 Å
b	7.8548 ± 0.0004 Å
c	36.2929 ± 0.0017 Å
α	90°
β	113.602 ± 0.003°
γ	90°
Cell volume	9474.7 ± 0.9 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.01 K
Number of distinct elements	6
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	0.1108
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	4517712.cif
252379	2020-05-28	cif/ Adding structures of 4517712 via cif-deposit CGI script.	4517712.cif