Crystallography Open Database

Information card for entry 1508824

Preview

Coordinates	1508824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H29 N O3 Pt
Calculated formula	C28 H29 N O3 Pt
SMILES	[Pt]12(c3c(c4[n]2cccc4)c2oc4c(c2cc3)cccc4)OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C
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	8.8407 ± 0.0004 Å
b	17.8439 ± 0.0009 Å
c	31.9076 ± 0.0015 Å
α	90°
β	92.0189 ± 0.0015°
γ	90°
Cell volume	5030.4 ± 0.4 Å³
Cell temperature	296.1 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	0.0691
Weighted residual factors for all reflections included in the refinement	0.0679
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
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.	1508824.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508824.cif
86269	2013-05-17	smi/1 Adding SMILES in subdir 1 with checked/fixed bracketed oxygens ([O])	1508824.cif
73979	2013-02-21	cif/ Adding structures of 1508823, 1508824 via cif-deposit CGI script.	1508824.cif