Crystallography Open Database

Information card for entry 4106493

Preview

Structure parameters

Formula	C51 H41 Cu F6 N2 O2 P2
Calculated formula	C51 H41 Cu F6 N2 O2 P2
SMILES	[Cu]12([P](c3c(Oc4c([P]1(c1ccccc1)c1ccccc1)cccc4)cccc3)(c1ccccc1)c1ccccc1)[n]1ccccc1c1n2c(cc1C(F)(F)F)C(F)(F)F.O1CCCC1
Title of publication	Systematic Investigation of the Metal-Structure-Photophysics Relationship of Emissive d10-Complexes of Group 11 Elements: The Prospect of Application in Organic Light Emitting Devices
Authors of publication	Chien-Wei Hsu; Chao-Chen Lin; Min-Wen Chung; Yun Chi; Gene-Hsiang Lee; Pi-Tai Chou; Chih-Hao Chang; Pin-Yang Chen
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	12085 - 12099
a	37.5399 ± 0.0017 Å
b	12.9489 ± 0.0006 Å
c	22.7366 ± 0.001 Å
α	90°
β	127.247 ± 0.001°
γ	90°
Cell volume	8798 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0716
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.1742
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4106493.html