Crystallography Open Database

Information card for entry 7035575

Preview

Coordinates	7035575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H27 Au N2 O P2 S
Calculated formula	C37 H27 Au N2 O P2 S
SMILES	[Au]1(SC#N)[P](c2cccc3Nc4cccc([P]1(c1ccccc1)c1ccccc1)c4Oc23)(c1ccccc1)c1ccccc1
Title of publication	Mechano-induced reversible colour and luminescence switching of a gold(i)-diphosphine complex.
Authors of publication	Baranyai, Péter; Marsi, Gábor; Jobbágy, Csaba; Domján, Attila; Oláh, Laura; Deák, Andrea
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	30
Pages of publication	13455 - 13459
a	11.0432 ± 0.0005 Å
b	12.5167 ± 0.0006 Å
c	13.2977 ± 0.0005 Å
α	93.219 ± 0.002°
β	113.83 ± 0.003°
γ	110.676 ± 0.001°
Cell volume	1530.04 ± 0.13 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
153151 (current)	2015-08-08	cif/ Updating files of 7035575 Original log message: Adding full bibliography for 7035575.cif.	7035575.cif
139713	2015-06-27	cif/ Adding structures of 7035575 via cif-deposit CGI script.	7035575.cif