Crystallography Open Database

Information card for entry 2023337

2023336 << 2023337 >> 2023338

Preview

Coordinates	2023337.cif
Original IUCr paper	HTML

Structure parameters

Formula	C15 H20 Br F4 I2 N
Calculated formula	C15 H20 Br F4 I2 N
Title of publication	Crystal structure and Hirshfeld surface analysis of supramolecular aggregate of 2,2,6,6-tetramethylpiperidin-1-ium bromide with 1,2,3,4-tetrafluoro-5,6-diiodobenzene
Authors of publication	Gurbanov, Atash V.; Hökelek, Tuncer; Mammadova, Gunay Z.; Hasanov, Khudayar I.; Javadzade, Tahir A.; Belay, Alebel N.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	1
a	29.0324 ± 0.0008 Å
b	9.1477 ± 0.0002 Å
c	15.0296 ± 0.0004 Å
α	90°
β	108.533 ± 0.001°
γ	90°
Cell volume	3784.56 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
296913 (current)	2024-12-18	cif/ Adding structures of 2023337 via cif-deposit CGI script.	2023337.cif