Crystallography Open Database

Information card for entry 4514313

Preview

Coordinates	4514313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H58 N4 Pt
Calculated formula	C46 H58 N4 Pt
Title of publication	In Search of Deeper Blues: Trans-N-Heterocyclic Carbene Platinum Phenylacetylide as a Dopant for Phosphorescent OLEDs.
Authors of publication	Bullock, James D.; Salehi, Amin; Zeman, 4th, Charles J; Abboud, Khalil A.; So, Franky; Schanze, Kirk S.
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	47
Pages of publication	41111 - 41114
a	14.0588 ± 0.0007 Å
b	27.7078 ± 0.0013 Å
c	21.3914 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8332.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0674
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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/4514313.html