Crystallography Open Database

Information card for entry 7244717

Preview

Coordinates	7244717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Br4 Cd N2 O2
Calculated formula	C24 H26 Br4 Cd N4 O2
SMILES	O(c1ccc([NH3+])cc1)c1ccc(N)cc1.O(c1ccc(N)cc1)c1ccc([NH3+])cc1.[Cd](Br)(Br)([Br-])[Br-]
Title of publication	Organically tuned white-light emission from two zero-dimensional Cd-based hybrids
Authors of publication	Msalmi, Rawia; Elleuch, Slim; Hamdi, Besma; Abd El-Fattah, Wesam; Ben Hamadi, Naoufel; Naïli, Houcine
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	17
Pages of publication	10431 - 10442
a	14.783 ± 0.004 Å
b	12.746 ± 0.002 Å
c	16.051 ± 0.003 Å
α	90°
β	107.908 ± 0.006°
γ	90°
Cell volume	2877.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
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	0.0909
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0776
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation probe	x-ray
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
274367 (current)	2022-04-06	cif/ Adding structures of 7244717 via cif-deposit CGI script.	7244717.cif