Crystallography Open Database

Information card for entry 7235064

Preview

Structure parameters

Formula	C73 H58 Au2 Cl2 N2 O8 P4
Calculated formula	C73 H58 Au2 Cl2 N2 O8 P4
SMILES	[Au]1[P](c2ccccc2Oc2c([P]([Au][P](c3c(cccc3)Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].C(Cl)Cl
Title of publication	Novel gold(i) diphosphine-based dimers with aurophilicity triggered multistimuli light-emitting properties
Authors of publication	Csaba Jobbagy; Peter Baranyai; Gabor Marsi; Barbara Racz; Liang Li; Pance Naumov; Andrea Deak
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	10253 - 10264
a	21.848 ± 0.002 Å
b	15.4782 ± 0.0016 Å
c	19.843 ± 0.002 Å
α	90°
β	106.46 ± 0.002°
γ	90°
Cell volume	6435.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0417
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7235064.cif
227773	2019-11-14	cif/ Adding structures of 7235064 via cif-deposit CGI script.	7235064.cif