Crystallography Open Database

Information card for entry 4125146

Preview

Coordinates	4125146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H62 O32 Zr6
Calculated formula	C87 H66 O32 Zr6
Title of publication	Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.
Authors of publication	Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	28
Pages of publication	8912 - 8919
a	33.505 ± 0.013 Å
b	33.505 Å
c	16.824 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	18886 ± 11 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.1803
Residual factor for significantly intense reflections	0.116
Weighted residual factors for significantly intense reflections	0.2652
Weighted residual factors for all reflections included in the refinement	0.2882
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
187927 (current)	2016-11-06	cif/ Updating files of 4125130, 4125131, 4125132, 4125133, 4125134, 4125135, 4125136, 4125137, 4125138, 4125139, 4125140, 4125141, 4125142, 4125143, 4125144, 4125145, 4125146, 4125147, 4125148 Original log message: Adding full bibliography for 4125130--4125148.cif.	4125146.cif
184368	2016-07-12	cif/ Adding structures of 4125138, 4125139, 4125140, 4125141, 4125142, 4125143, 4125144, 4125145, 4125146, 4125147, 4125148 via cif-deposit CGI script.	4125146.cif