Crystallography Open Database

Information card for entry 7718796

Preview

Coordinates	7718796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 Cl5 I2 N2 Sb
Calculated formula	C13 H16 Cl5 I2 N2 Sb
Title of publication	Antimony <i>vs.</i> bismuth: structural differences in Cat{[MCl<sub>5</sub>](I<sub>2</sub>)} halogen bond-linked supramolecular complexes.
Authors of publication	Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	26
Pages of publication	10294 - 10303
a	15.3188 ± 0.0004 Å
b	14.2431 ± 0.0003 Å
c	9.9383 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2168.41 ± 0.1 Å³
Cell temperature	220 K
Ambient diffraction temperature	220 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0509
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
300792 (current)	2025-07-06	cif/ Updating files of 7718795, 7718796, 7718797, 7718798, 7718799, 7718800 Original log message: Adding full bibliography for 7718795--7718800.cif.	7718796.cif
299831	2025-05-28	cif/ Adding structures of 7718795, 7718796, 7718797, 7718798, 7718799, 7718800 via cif-deposit CGI script.	7718796.cif