Crystallography Open Database

Information card for entry 4066692

Preview

Coordinates	4066692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 F3 N O2 Pt
Calculated formula	C22 H18 F3 N O2 Pt
SMILES	[Pt]12(c3c(c4[n]2c2ccccc2c(c4)C)ccc(c3)C(F)(F)F)OC(=CC(=[O]1)C)C
Title of publication	Cyclometalated Platinum(II) Complexes of Lepidine-Based Ligands as Highly Efficient Electrophosphors
Authors of publication	Velusamy, Marappan; Chen, Chih-Hsin; Wen, Yuh S.; Lin, Jiann T.; Lin, Chao-Chen; Lai, Chin-Hung; Chou, Pi-Tai
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	17
Pages of publication	3912
a	8.5878 ± 0.0003 Å
b	10.7454 ± 0.0004 Å
c	11.5209 ± 0.0004 Å
α	62.888 ± 0.002°
β	86.95 ± 0.002°
γ	84.698 ± 0.002°
Cell volume	942.2 ± 0.06 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.047
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0377
Goodness-of-fit parameter for all reflections included in the refinement	0.701
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
178558 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/66.	4066692.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066692.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066692.cif
33961	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066692, 4066693 via cif-deposit CGI script.	4066692.cif