Crystallography Open Database

Information card for entry 7248696

Preview

Coordinates	7248696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 Bi Br4 N O S
Calculated formula	C11 H15 Bi Br4 N O S
Title of publication	Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides
Authors of publication	Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	26
Pages of publication	3490 - 3500
a	11.442 ± 0.003 Å
b	13.461 ± 0.003 Å
c	12.46 ± 0.003 Å
α	90°
β	107.555 ± 0.007°
γ	90°
Cell volume	1829.7 ± 0.8 Å³
Cell temperature	140 K
Ambient diffraction temperature	140 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0785
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
292952 (current)	2024-07-05	cif/ Updating files of 7248691, 7248692, 7248693, 7248694, 7248695, 7248696, 7248697, 7248698, 7248699, 7248700, 7248701, 7248702 Original log message: Adding full bibliography for 7248691--7248702.cif.	7248696.cif
292056	2024-05-28	cif/ Adding structures of 7248691, 7248692, 7248693, 7248694, 7248695, 7248696, 7248697, 7248698, 7248699, 7248700, 7248701, 7248702 via cif-deposit CGI script.	7248696.cif