Crystallography Open Database

Information card for entry 7246527

Preview

Coordinates	7246527.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	organic compound
Formula	C10 H4 Br4 N2
Calculated formula	C10 H4 Br4 N2
Title of publication	Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions.
Authors of publication	Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	16
Pages of publication	11493 - 11500
a	6.2037 ± 0.0007 Å
b	6.6476 ± 0.0008 Å
c	15.677 ± 0.002 Å
α	90°
β	95.856 ± 0.009°
γ	90°
Cell volume	643.14 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.037
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0669
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
283502 (current)	2023-05-05	cif/ Updating files of 7246526, 7246527, 7246528 Original log message: Adding full bibliography for 7246526--7246528.cif.	7246527.cif
282107	2023-03-29	cif/ Adding structures of 7246526, 7246527, 7246528 via cif-deposit CGI script.	7246527.cif