Crystallography Open Database

Information card for entry 4336519

Preview

Coordinates	4336519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N O2 Pt
Calculated formula	C24 H27 N O2 Pt
SMILES	c1ccc2c3c4c(cccc4[Pt]4([n]13)OC(=CC(C(C)(C)C)=[O]4)C(C)(C)C)cc2
Title of publication	Photophysical Properties of Cyclometalated Pt(II) Complexes: Counterintuitive Blue Shift in Emission with an Expanded Ligand π System
Authors of publication	Alberto Bossi; Andreas F. Rausch; Markus J. Leitl; Rafał Czerwieniec; Matthew T. Whited; Peter I. Djurovich; Hartmut Yersin; Mark E. Thompson
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12403 - 12415
a	12.6435 ± 0.0006 Å
b	12.6465 ± 0.0006 Å
c	13.044 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2085.68 ± 0.17 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0288
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
179468 (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 4/33/65.	4336519.cif
102523	2014-02-21	cif/ Adding structures of 4336519 via cif-deposit CGI script.	4336519.cif