Crystallography Open Database

Information card for entry 4315046

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Structure parameters

Formula	C24 H12 F6 N2 O2 S
Calculated formula	C24 H12 F6 N2 O2 S
SMILES	s1cc(c(c1)c1cc(cc2cccnc12)OC(F)(F)F)c1cc(OC(F)(F)F)cc2cccnc12
Title of publication	Platinum Complexes of η2-Thiophenes
Authors of publication	Runyu Tan; Datong Song
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2026 - 2028
a	8.2605 ± 0.0003 Å
b	11.1631 ± 0.0005 Å
c	12.5207 ± 0.0005 Å
α	71.296 ± 0.002°
β	83.095 ± 0.002°
γ	74.074 ± 0.002°
Cell volume	1050.96 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0571
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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