Crystallography Open Database

Information card for entry 7134322

Preview

Coordinates	7134322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 Br4
Calculated formula	C24 H12 Br4
Title of publication	Room-temperature phosphorescence in crystalline bifurcating halogen⋯halogen synthon containing chromophore.
Authors of publication	Sujilkumar, Suvarna; Kalyani, Agaja; Hariharan, Mahesh
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	29
Pages of publication	5463 - 5466
a	7.9052 ± 0.0003 Å
b	12.3181 ± 0.0004 Å
c	22.0431 ± 0.0006 Å
α	90°
β	90.006 ± 0.001°
γ	90°
Cell volume	2146.49 ± 0.12 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	3
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
298740 (current)	2025-04-05	cif/ Updating files of 7134322 Original log message: Adding full bibliography for 7134322.cif.	7134322.cif
298377	2025-03-12	cif/ Adding structures of 7134322 via cif-deposit CGI script.	7134322.cif