Crystallography Open Database

Information card for entry 7202504

7202503 << 7202504 >> 7202505

Preview

Coordinates	7202504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 Ir N2 O2
Calculated formula	C39 H39 Ir N2 O2
SMILES	[Ir]123(OC(=CC(=[O]1)C)C)([n]1cccc4c1C(=C2c1ccccc1)CCCC4)[n]1cccc2c1C(=C3c1ccccc1)CCCC2
Title of publication	Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control
Authors of publication	Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro
Journal of publication	Journal of Materials Chemistry
Year of publication	2007
Journal volume	17
Journal issue	9
Pages of publication	841
a	14.04 ± 0.02 Å
b	14.11 ± 0.02 Å
c	17.34 ± 0.02 Å
α	101.53 ± 0.06°
β	103.15 ± 0.06°
γ	102.54 ± 0.05°
Cell volume	3151 ± 7 Å³
Cell temperature	93.2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7202504.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202504.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202504.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202504.cif