Crystallography Open Database

Information card for entry 4344546

Preview

Coordinates	4344546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 F2 N5 O Pt
Calculated formula	C33 H27 F2 N5 O Pt
SMILES	O(c1ccc(C2=NN([Pt]3(c4c(c5[n]3cccc5)c(F)cc(F)c4)[N](=N2)c2ccc(cc2)C)c2ccc(cc2)C)cc1)C
Title of publication	Heteroleptic Complexes of Cyclometalated Platinum with Triarylformazanate Ligands.
Authors of publication	Kabir, Evanta; Wu, Chia-Hua; Wu, Judy I-Chia; Teets, Thomas S.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	2
Pages of publication	956 - 963
a	11.104 ± 0.003 Å
b	11.535 ± 0.003 Å
c	13.956 ± 0.004 Å
α	95.274 ± 0.003°
β	100.098 ± 0.003°
γ	113.62 ± 0.003°
Cell volume	1586.2 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0572
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
175485 (current)	2016-02-04	cif/ Adding structures of 4344544, 4344545, 4344546 via cif-deposit CGI script.	4344546.cif