Crystallography Open Database

Information card for entry 4517324

Preview

Coordinates	4517324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H10 F20 N4 Ni O2
Calculated formula	C43 H10 F20 N4 Ni O2
Title of publication	Mimicking of Tunichlorin: Deciphering the Importance of a β-Hydroxyl Substituent on Boosting the Hydrogen Evolution Reaction
Authors of publication	Wu, Zhuo-Yan; Xue, Haozong; Wang, Teng; Guo, Yanru; Meng, Yin-Shan; Li, Xingguo; Zheng, Jie; Brückner, Christian; Rao, Guodong; Britt, R. David; Zhang, Jun-Long
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	2177 - 2188
a	15.3766 ± 0.0003 Å
b	15.3766 ± 0.0003 Å
c	15.4761 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3659.17 ± 0.16 Å³
Cell temperature	180.01 ± 0.1 K
Ambient diffraction temperature	180.01 ± 0.1 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
257026 (current)	2020-10-04	cif/ Updating files of 4517324, 4517325 Original log message: Adding full bibliography for 4517324--4517325.cif.	4517324.cif
247195	2020-01-25	cif/ Adding structures of 4517324 via cif-deposit CGI script.	4517324.cif