Crystallography Open Database

Information card for entry 4127296

Preview

Coordinates	4127296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 O40 Zr6
Calculated formula	C18 H10 O40 Zr6
Title of publication	Engineering Structural Dynamics of Zirconium Metal-Organic Frameworks Based on Natural C4 Linkers.
Authors of publication	Wang, Sujing; Xhaferaj, Nertil; Wahiduzzaman, Mohammad; Oyekan, Kolade; Li, Xiao; Wei, Kevin; Zheng, Bin; Tissot, Antoine; Marrot, Jérôme; Shepard, William; Martineau-Corcos, Charlotte; Filinchuk, Yaroslav; Tan, Kui; Maurin, Guillaume; Serre, Christian
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	43
Pages of publication	17207 - 17216
a	10 ± 0.002 Å
b	11.94 ± 0.002 Å
c	19.829 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	2367.6 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	71
Hermann-Mauguin space group symbol	I m m m
Hall space group symbol	-I 2 2
Residual factor for all reflections	0.1329
Residual factor for significantly intense reflections	0.1086
Weighted residual factors for significantly intense reflections	0.3028
Weighted residual factors for all reflections included in the refinement	0.3548
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.8266 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223197 (current)	2019-11-04	cif/ Updating files of 4127296 Original log message: Adding full bibliography for 4127296.cif.	4127296.cif
219564	2019-10-28	cif/ Adding structures of 4127296 via cif-deposit CGI script.	4127296.cif