Crystallography Open Database

Information card for entry 4125135

Preview

Coordinates	4125135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H16 N16 O64 Zr6
Calculated formula	C56 H16 N16 O64 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	23.024 ± 0.002 Å
b	23.024 ± 0.002 Å
c	18.6484 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	9885.6 ± 1.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	131
Hermann-Mauguin space group symbol	P 42/m m c
Hall space group symbol	-P 4c 2
Residual factor for all reflections	0.1483
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.1925
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
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.	4125135.cif
184367	2016-07-12	cif/ Adding structures of 4125130, 4125131, 4125132, 4125133, 4125134, 4125135, 4125136, 4125137 via cif-deposit CGI script.	4125135.cif