Crystallography Open Database

Information card for entry 7033644

Preview

Coordinates	7033644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H45 B2 F4 N4 O4
Calculated formula	C43 H45 B2 F4 N4 O4
Title of publication	meso-Salicylaldehyde substituted BODIPY as a chemodosimetric sensor for cyanide anions.
Authors of publication	Dvivedi, Avanish; Rajakannu, Palanisamy; Ravikanth, Mangalampalli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	9
Pages of publication	4054 - 4062
a	11.954 ± 0.002 Å
b	11.402 ± 0.002 Å
c	29.319 ± 0.005 Å
α	90°
β	92.926 ± 0.003°
γ	90°
Cell volume	3991 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0516
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180042 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/36.	7033644.cif
133432	2015-03-06	cif/ Updating files of 7033644 Original log message: Adding full bibliography for 7033644.cif.	7033644.cif
129669	2015-01-15	cif/ Adding structures of 7033644 via cif-deposit CGI script.	7033644.cif