Crystallography Open Database

Information card for entry 1514647

Preview

Coordinates	1514647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Cl2 F2 N4 O2 Pt
Calculated formula	C20 H14 Cl2 F2 N4 O2 Pt
SMILES	[Pt]123=C4N(C=CN4CN4C=3N(c3c(O2)ccc(F)c3)C=C4)c2c(O1)ccc(F)c2.ClCCl
Title of publication	Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors
Authors of publication	Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	6
Pages of publication	2630
a	11.5589 ± 0.0009 Å
b	8.2655 ± 0.0007 Å
c	22.3063 ± 0.0015 Å
α	90°
β	111.907 ± 0.004°
γ	90°
Cell volume	1977.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0816
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2267
Weighted residual factors for all reflections included in the refinement	0.2377
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514647.cif
110209	2014-04-18	cif/ Adding structures of 1514646, 1514647 via cif-deposit CGI script.	1514647.cif