Crystallography Open Database

Information card for entry 4335310

Preview

Coordinates	4335310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H17 N3 O2 Pt
Calculated formula	C22 H17 N3 O2 Pt
SMILES	[Pt]123c4c(Oc5c3c(Oc3cccc[n]13)ccc5)cccc4n1[n]2c(cc1C)C
Title of publication	Cyclometalated Platinum Complexes with Luminescent Quantum Yields Approaching 100%
Authors of publication	Eric Turner; Nathan Bakken; Jian Li
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7344 - 7351
a	15.13 ± 0.002 Å
b	14.199 ± 0.002 Å
c	18.764 ± 0.003 Å
α	90°
β	111.922 ± 0.002°
γ	90°
Cell volume	3739.6 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0565
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179456 (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 4/33/53.	4335310.cif
101236	2014-02-11	cif/ Adding structures of 4335310 via cif-deposit CGI script.	4335310.cif