Crystallography Open Database

Information card for entry 4135202

Preview

Coordinates	4135202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H52 O36 Zr6
Calculated formula	C96 H52 O36 Zr6
Title of publication	Precisely Embedding Active Sites into a Mesoporous Zr-Framework through Linker Installation for High-Efficiency Photocatalysis.
Authors of publication	Pang, Jiandong; Di, Zhengyi; Qin, Jun-Sheng; Yuan, Shuai; Lollar, Christina T.; Li, Jialuo; Zhang, Peng; Wu, Mingyan; Yuan, Daqiang; Hong, Maochun; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	35
Pages of publication	15020 - 15026
a	40.5456 ± 0.0007 Å
b	40.546 Å
c	19.6333 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	27952.2 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.98 K
Number of distinct elements	4
Space group number	191
Hermann-Mauguin space group symbol	P 6/m m m
Hall space group symbol	-P 6 2
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1547
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255870 (current)	2020-09-04	cif/ Updating files of 4135202, 4135203, 4135204, 4135205 Original log message: Adding full bibliography for 4135202--4135205.cif.	4135202.cif
255556	2020-08-22	cif/ Adding structures of 4135202, 4135203, 4135204, 4135205 via cif-deposit CGI script.	4135202.cif