Crystallography Open Database

Information card for entry 7229124

Preview

Coordinates	7229124.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Nitro(N,N,N',N'-tetraethyldiethylenetriamine)platinum(II) trifluoromethanesulfonate
Formula	C13 H29 F3 N4 O5 Pt S
Calculated formula	C13 H29 F3 N4 O5 Pt S
Title of publication	The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers
Authors of publication	Hatcher, Lauren E.; Raithby, Paul R.
Journal of publication	CrystEngComm
Year of publication	2017
a	9.2898 ± 0.0005 Å
b	13.0891 ± 0.0005 Å
c	16.8662 ± 0.0011 Å
α	90°
β	98.239 ± 0.005°
γ	90°
Cell volume	2029.68 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0708
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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