Crystallography Open Database

Information card for entry 4336144

Preview

Coordinates	4336144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 B F N2 O S
Calculated formula	C18 H12 B F N2 O S
Title of publication	Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices
Authors of publication	Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10846 - 10859
a	9.5208 ± 0.0003 Å
b	14.3566 ± 0.0004 Å
c	12.1658 ± 0.0004 Å
α	90°
β	109.901 ± 0.004°
γ	90°
Cell volume	1563.59 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0924
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.1997
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179464 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/61.	4336144.cif
102118	2014-02-19	cif/ Adding structures of 4336144 via cif-deposit CGI script.	4336144.cif