Crystallography Open Database

Information card for entry 7226266

Preview

Coordinates	7226266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 Au2 Cl2 N4 P2
Calculated formula	C28 H30 Au2 Cl2 N4 P2
SMILES	c1cccc(n1)[P]1(CN(C[P](c2ccccn2)(CN(C1)c1ccc(cc1)C)[Au]Cl)c1ccc(cc1)C)[Au]Cl
Title of publication	A stimuli-responsive Au(i) complex based on an aminomethylphosphine template: synthesis, crystalline phases and luminescence properties
Authors of publication	Strelnik, Igor D.; Gurzhiy, Vladislav V.; Sizov, Vladimir V.; Musina, Elvira I.; Karasik, Andrey A.; Tunik, Sergey P.; Grachova, Elena V.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	39
Pages of publication	7629
a	15.3277 ± 0.0005 Å
b	8.872 ± 0.0002 Å
c	14.8008 ± 0.0006 Å
α	90°
β	112.309 ± 0.004°
γ	90°
Cell volume	1862.07 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188067 (current)	2016-11-08	cif/ Updating files of 7226264, 7226265, 7226266 Original log message: Adding full bibliography for 7226264--7226266.cif.	7226266.cif
185848	2016-08-17	cif/ Adding structures of 7226264, 7226265, 7226266 via cif-deposit CGI script.	7226266.cif