Crystallography Open Database

Information card for entry 7219966

7219965 << 7219966 >> 7219967

Preview

Coordinates	7219966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Au Cl3 N5 O2 S2
Calculated formula	C18 H21 Au Cl3 N5 O2 S2
SMILES	[Au]1(Cl)([S]=C2N(C(C)C)C=CN2c2cccc(N3C=CN(C3=[S]1)C(C)C)n2)Cl.OC.O.[Cl-]
Title of publication	Synthesis, Characterization of Gold Complexes with Pyridine-based SNS Ligands and as Homogeneous Catalysts for Reduction of 4-Nitrophenol
Authors of publication	Jia, Weiguo; Dai, Yuan-Chen; Zhang, Hai-Ning; Lu, Xiaojing; Sheng, Enhong
Journal of publication	RSC Adv.
Year of publication	2015
a	7.981 ± 0.004 Å
b	11.981 ± 0.006 Å
c	15.652 ± 0.008 Å
α	106.507 ± 0.006°
β	104.098 ± 0.006°
γ	97.096 ± 0.006°
Cell volume	1361.5 ± 1.2 Å³
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	0.198
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191076 (current)	2017-01-29	cif/ (antanas@kurmis) Changing the _geom_angle_atom_site_symbol_1, _geom_angle_atom_site_symbol_2, _geom_angle_atom_site_symbol_3, _geom_bond_atom_site_symbol_1, _geom_bond_atom_site_symbol_2 tags to the _geom_angle_atom_site_label_1, _geom_angle_atom_site_label_2, _geom_angle_atom_site_label_3, _geom_bond_atom_site_label_1, _geom_bond_atom_site_label_2 tags in entries 4065990, 7020120, 7051317, 7109509, 7219966.	7219966.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7219966.cif
134235	2015-03-21	cif/ Adding structures of 7219966 via cif-deposit CGI script.	7219966.cif