Crystallography Open Database

Information card for entry 7234118

Preview

Coordinates	7234118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 F3 N O3 Pt
Calculated formula	C18 H16 F3 N O3 Pt
SMILES	[Pt]12(c3c(c4[n]2cc(cc4)C(F)(F)F)ccc(c3)OC)OC(=CC(=[O]1)C)C
Title of publication	Photostable trifluoromethyl-substituted platinum(ii) emitters for continuous monitoring of molecular oxygen
Authors of publication	Yang Xing; Chun Liu; Xinlong Song; Jiuyan Li
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	2166 - 2174
a	23.2937 ± 0.001 Å
b	11.9955 ± 0.0005 Å
c	13.1606 ± 0.0005 Å
α	90°
β	100.226 ± 0.002°
γ	90°
Cell volume	3618.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	0.745
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
295862 (current)	2024-11-09	cif/7: Fixing Z values and formulae	7234118.cif
218784	2019-09-24	cif/ Adding structures of 7234117, 7234118, 7234119 via cif-deposit CGI script.	7234118.cif