Crystallography Open Database

Information card for entry 1508823

Preview

Coordinates	1508823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H53 N O7 Pt
Calculated formula	C48 H53 N O7 Pt
SMILES	[Pt]12(c3c(c4[n]2cccc4)c2oc4ccccc4c2cc3)OC(=CC(=[O]1)c1cc(OCCCC)c(OCCCC)cc1)c1cc(OCCCC)c(OCCCC)cc1
Title of publication	Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand
Authors of publication	Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2013
Journal volume	117
Journal issue	1
Pages of publication	532
a	18.3993 ± 0.0003 Å
b	8.58214 ± 0.00016 Å
c	27.5862 ± 0.0019 Å
α	90°
β	106.182 ± 0.008°
γ	90°
Cell volume	4183.4 ± 0.3 Å³
Cell temperature	123.1 K
Ambient diffraction temperature	123.1 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 significantly intense reflections	0.0249
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1508823.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508823.cif
73979	2013-02-21	cif/ Adding structures of 1508823, 1508824 via cif-deposit CGI script.	1508823.cif