Crystallography Open Database

Information card for entry 7246515

Preview

Coordinates	7246515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H85 N5 O25 Tb2
Calculated formula	C79 H85 N5 O25 Tb2
Title of publication	(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker
Authors of publication	Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	16
Pages of publication	2353 - 2358
a	9.6298 ± 0.0001 Å
b	11.6484 ± 0.0001 Å
c	35.049 ± 0.0004 Å
α	91.288 ± 0.001°
β	94.152 ± 0.001°
γ	93.793 ± 0.001°
Cell volume	3911.13 ± 0.07 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0383
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
283204 (current)	2023-05-05	cif/ Updating files of 7246512, 7246513, 7246514, 7246515, 7246516, 7246517, 7246518, 7246519, 7246520, 7246521 Original log message: Adding full bibliography for 7246512--7246521.cif.	7246515.cif
282095	2023-03-29	cif/ Adding structures of 7246512, 7246513, 7246514, 7246515, 7246516, 7246517, 7246518, 7246519, 7246520, 7246521 via cif-deposit CGI script.	7246515.cif