Crystallography Open Database

Information card for entry 4334595

Preview

Coordinates	4334595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C288 H206 F36 Ir6 N18 O13 P12
Calculated formula	C288 H206 F36 Ir6 N18 O13 P12
Title of publication	Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand
Authors of publication	Qiu-Lei Xu; Cheng-Cheng Wang; Tian-Yi Li; Ming-Yu Teng; Song Zhang; Yi-Ming Jing; Xu Yang; Wei-Nan Li; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Xiao-Zeng You
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4916 - 4925
a	41.6691 ± 0.0012 Å
b	15.2305 ± 0.0007 Å
c	23.392 ± 0.001 Å
α	90°
β	113.056 ± 0.002°
γ	90°
Cell volume	13659.7 ± 1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179448 (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 4/33/45.	4334595.cif
100463	2014-02-06	cif/ Adding structures of 4334595 via cif-deposit CGI script.	4334595.cif