Crystallography Open Database

Information card for entry 4081608

Preview

Coordinates	4081608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73.5 H57 Ag2 Au4 Cl4 O4 P3
Calculated formula	C72 H54 Ag2 Au4 Cl O4 P3
SMILES	c1(ccccc1)[P]1([Au][C](#Cc2ccccc2)[Ag]2[C]([Au][C]3#[C](c4ccccc4)[Ag]43[C](#Cc3ccccc3)[Au][P](C[P]([Au][C]4#Cc3ccccc3)(c3ccccc3)c3ccccc3)(C1)c1ccccc1)#[C]2c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O
Title of publication	Structures and Phosphorescence Properties of Triphosphine-Supported Au2Ag2and Au8Ag4Alkynyl Cluster Complexes
Authors of publication	Xu, Liang-Jin; Wang, Jin-Yun; Zhang, Li-Yi; Shi, Lin-Xi; Chen, Zhong-Ning
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	19
Pages of publication	5402
a	15.89 ± 0.002 Å
b	16.609 ± 0.002 Å
c	17.78 ± 0.003 Å
α	63.603 ± 0.006°
β	77.655 ± 0.009°
γ	65.354 ± 0.007°
Cell volume	3818 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0704
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
264242 (current)	2021-04-16	cif/4 Fixing some Z values and formulae	4081608.cif
178705	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/16.	4081608.cif
89771	2013-11-10	cif/ Adding structures of 4081608 via cif-deposit CGI script.	4081608.cif