Crystallography Open Database

Information card for entry 7063509

Preview

Coordinates	7063509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68.5 H61.5 F12 N8.5 O3.5 Pt2 S2
Calculated formula	C68.5 H61.5 F12 N8.5 O3.5 Pt2 S2
Title of publication	Dinuclear platinum(ii) complexes featuring rigidly linked Pt(NCN)X units: the effect of X = SCN− in favouring low-energy, excimer-like luminescence
Authors of publication	Salthouse, Rebecca J.; Dikova, Yana M.; Etherington, Marc K.; Williams, J. A. Gareth
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	44
Pages of publication	18865 - 18872
a	14.9657 ± 0.0003 Å
b	16.2514 ± 0.0004 Å
c	27.9021 ± 0.0006 Å
α	90°
β	103.418 ± 0.0008°
γ	90°
Cell volume	6600.9 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1541
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296624 (current)	2024-12-06	cif/ Updating files of 7063509 Original log message: Adding full bibliography for 7063509.cif.	7063509.cif
295707	2024-11-01	cif/ Adding structures of 7063509 via cif-deposit CGI script.	7063509.cif