Crystallography Open Database

Information card for entry 7234619

Preview

Coordinates	7234619.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Amino-BODIPY
Chemical name	Ammonia-BODIPY
Formula	C15 H6 B Br F7 N3
Calculated formula	C15 H6 B Br F7 N3
SMILES	Brc1n2c(C(=c3[n](c(N)cc3)[B]2(F)F)c2c(F)c(F)c(F)c(F)c2F)cc1
Title of publication	A facile and visual approach for the detection of trace level ammonia vapours under ambient conditions
Authors of publication	Masood Ayoub Kaloo; Adiki Raja Sekhar; R. V. Ramana Reddy; Ramya Sunder Raman; Jeyaraman Sankar
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2452 - 2456
a	6.2039 ± 0.0004 Å
b	12.3689 ± 0.001 Å
c	42.218 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3239.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0994
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1276
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
219355 (current)	2019-10-15	cif/ Adding structures of 7234619 via cif-deposit CGI script.	7234619.cif