Crystallography Open Database

Information card for entry 4341565

Preview

Coordinates	4341565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 B F2 N4 O
Calculated formula	C22 H21 B F2 N4 O
SMILES	F[B]1(F)[N](=NC(=NN1c1ccc(cc1)C)c1ccc(OC)cc1)c1ccc(cc1)C
Title of publication	Substituent-dependent optical and electrochemical properties of triarylformazanate boron difluoride complexes.
Authors of publication	Barbon, Stephanie M.; Price, Jacquelyn T.; Reinkeluers, Pauline A.; Gilroy, Joe B.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10585 - 10593
a	10.362 ± 0.006 Å
b	28.12 ± 0.017 Å
c	28.16 ± 0.02 Å
α	117.075 ± 0.013°
β	96.626 ± 0.017°
γ	98.667 ± 0.016°
Cell volume	7063 ± 8 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.1407
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
179518 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/15.	4341565.cif
126719	2014-11-10	cif/ Adding structures of 4341565 via cif-deposit CGI script.	4341565.cif