Crystallography Open Database

Information card for entry 7218206

Preview

Coordinates	7218206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 B F2 N3
Calculated formula	C18 H18 B F2 N3
SMILES	c1cc(ccn1)C1=c2c(C)cc(C)[n]2[B](n2c(C)cc(C)c12)(F)F
Title of publication	Noble-metal-free BODIPY-cobaloxime photocatalysts for visible-light-driven hydrogen production.
Authors of publication	Luo, Geng-Geng; Fang, Kai; Wu, Ji-Huai; Dai, Jing-Cao; Zhao, Qing-Hua
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2014
Journal volume	16
Journal issue	43
Pages of publication	23884 - 23894
a	24.7836 ± 0.0017 Å
b	6.7289 ± 0.0003 Å
c	20.9423 ± 0.0013 Å
α	90°
β	114.264 ± 0.008°
γ	90°
Cell volume	3184 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0612
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
182221 (current)	2016-04-20	cif/7 Fixing Z values and formulae	7218206.cif
180513	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/82.	7218206.cif
126561	2014-11-06	cif/ Updating files of 7218206, 7218207, 7218208, 7218209, 7218210, 7218211 Original log message: Adding full bibliography for 7218206--7218211.cif.	7218206.cif
124093	2014-09-23	cif/ Adding structures of 7218206, 7218207, 7218208, 7218209, 7218210, 7218211 via cif-deposit CGI script.	7218206.cif