Crystallography Open Database

Information card for entry 7018763

Preview

Coordinates	7018763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 B Br2 F2 N2 O
Calculated formula	C16 H11 B Br2 F2 N2 O
Title of publication	Brominated boron dipyrrins: synthesis, structure, spectral and electrochemical properties
Authors of publication	Lakshmi, V.; Ravikanth, M.
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	19
Pages of publication	5903
a	8.0532 ± 0.0004 Å
b	9.476 ± 0.0004 Å
c	11.2338 ± 0.0005 Å
α	78.222 ± 0.004°
β	83.573 ± 0.004°
γ	67.746 ± 0.004°
Cell volume	776.15 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0269
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0593
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179891 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/87.	7018763.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018763.cif
55952	2012-05-08	cif/ Adding structures of 7018763, 7018764, 7018765, 7018766 via cif-deposit CGI script.	7018763.cif