Crystallography Open Database

Information card for entry 1556470

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Coordinates	1556470.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dpg26
Formula	C37 H30 Au Cl2 Hg I P2
Calculated formula	C37 H30 Au Cl2 Hg I P2
SMILES	[Hg](c1c([P]([Au]2I)(c3ccccc3)c3ccccc3)cccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	[AuHg(o-C6H4PPh2)2I]: A Dinuclear Heterometallic Blue Emitter
Authors of publication	Lopez-de-Luzuriaga J.M.; Monge, M.; Olmos, M.E.; Pascual, D.
Journal of publication	Inorganics
Year of publication	2015
Journal volume	3
Pages of publication	27 - 39
a	17.1928 ± 0.0004 Å
b	11.2469 ± 0.0003 Å
c	18.0925 ± 0.0004 Å
α	90°
β	96.108 ± 0.001°
γ	90°
Cell volume	3478.61 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
244956 (current)	2019-12-09	cif/ Adding structures of 1556470 via cif-deposit CGI script.	1556470.cif