Crystallography Open Database

Information card for entry 7248225

Preview

Coordinates	7248225.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoic acid, dimethylsufoxide solvate
Formula	C42 H40 O10 S10
Calculated formula	C42 H40 O10 S10
Title of publication	Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene
Authors of publication	Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	15
Pages of publication	2072 - 2077
a	21.798 ± 0.0012 Å
b	6.3399 ± 0.0005 Å
c	16.8128 ± 0.001 Å
α	90°
β	90.723 ± 0.006°
γ	90°
Cell volume	2323.3 ± 0.3 Å³
Cell temperature	250 ± 0.1 K
Ambient diffraction temperature	250 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.079
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1759
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291597 (current)	2024-05-05	cif/ Updating files of 7248225, 7248226, 7248227 Original log message: Adding full bibliography for 7248225--7248227.cif.	7248225.cif
289968	2024-02-28	cif/ Adding structures of 7248225, 7248226, 7248227 via cif-deposit CGI script.	7248225.cif