Crystallography Open Database

Information card for entry 7218080

Preview

Coordinates	7218080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H18 B F N2 O
Calculated formula	C26 H18 B F N2 O
SMILES	O1[B]([n]2cccc3cccc1c23)(c1c(F)nccc1)c1c(cccc1)c1ccccc1
Title of publication	Charge transfer properties of two polymorphs of luminescent (2-fluoro-3-pyridyl)(2,2'-biphenyl)borinic 8-oxyquinolinate.
Authors of publication	Wesela-Bauman, Grzegorz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2014
Journal volume	16
Journal issue	41
Pages of publication	22762 - 22774
a	11.18331 ± 0.00013 Å
b	12.02706 ± 0.00013 Å
c	15.06878 ± 0.00016 Å
α	91.5953 ± 0.0009°
β	91.9937 ± 0.0009°
γ	96.6478 ± 0.0009°
Cell volume	2010.9 ± 0.04 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.042
Weighted residual factors for all reflections	0.0789
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7218080.cif
124932	2014-10-06	cif/ Updating files of 7218080, 7218081 Original log message: Adding full bibliography for 7218080--7218081.cif.	7218080.cif
123695	2014-09-11	cif/ Adding structures of 7218080 via cif-deposit CGI script.	7218080.cif