Crystallography Open Database

Information card for entry 1555896

Preview

Coordinates	1555896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C145 H144 N4 O5 Pt2 S32
Calculated formula	C145 H144 N4 O5 Pt2 S32
Title of publication	C<sub>60</sub> Recognition from Extended Tetrathiafulvalene Bis-acetylide Platinum(II) Complexes.
Authors of publication	Bastien, Guillaume; Dron, Paul I.; Vincent, Manon; Canevet, David; Allain, Magali; Goeb, Sébastien; Sallé, Marc
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	22
Pages of publication	5856 - 5859
a	15.954 ± 0.003 Å
b	16.992 ± 0.002 Å
c	17.29 ± 0.004 Å
α	107.17 ± 0.01°
β	114.97 ± 0.01°
γ	94.23 ± 0.01°
Cell volume	3951.8 ± 1.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.1569
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.176
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation probe	x-ray
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
239221 (current)	2019-11-24	cif/ Adding structures of 1555896 via cif-deposit CGI script.	1555896.cif