Crystallography Open Database

Information card for entry 7242722

Preview

Coordinates	7242722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H8 Br4 N2 O4
Calculated formula	C16 H8 Br4 N2 O4
Title of publication	Photo-responsive Schottky diode behavior of a donor‒acceptor co-crystal with violet blue light emission
Authors of publication	Singha, Soumen; Jana, Rajkumar; Mondal, Rituparna; Ray, Partha Pratim; Bag, Partha Pratim; Gupta, Kajal; Pakhira, Nandan; Rizzoli, Corrado; Mallick, Arabinda; Kumar, Sanjay; Saha, Rajat
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	19
Pages of publication	3510 - 3523
a	9.4972 ± 0.0018 Å
b	14.745 ± 0.003 Å
c	13.181 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1845.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.053
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
265949 (current)	2021-06-05	cif/ Updating files of 7242722 Original log message: Adding full bibliography for 7242722.cif.	7242722.cif
264604	2021-04-28	cif/ Adding structures of 7242722 via cif-deposit CGI script.	7242722.cif