Crystallography Open Database

Information card for entry 4076515

Preview

Coordinates	4076515.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H56 Au4 Cl4 N2 O0 P4
Calculated formula	C64 H56 Au4 Cl4 N2 P4
SMILES	c1(ccc(cc1)c1ccc(cc1)N(C[P](c1ccccc1)([Au]Cl)c1ccccc1)C[P]([Au]Cl)(c1ccccc1)c1ccccc1)N(C[P](c1ccccc1)([Au]Cl)c1ccccc1)C[P]([Au]Cl)(c1ccccc1)c1ccccc1
Title of publication	Gold(I) Chloride Complexes of Polyphosphine Ligands with Electron-Rich Arene Spacer: Gold‒Arene Interactions
Authors of publication	Ni, Qing-Ling; Jiang, Xuan-Feng; Huang, Ting-Hong; Wang, Xiu-Jian; Gui, Liu-Cheng; Yang, Kun-Guo
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	6
Pages of publication	2343
a	17.476 ± 0.003 Å
b	11.628 ± 0.002 Å
c	17.143 ± 0.003 Å
α	90°
β	117.887 ± 0.003°
γ	90°
Cell volume	3079.1 ± 0.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0712
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1244
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
178654 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/65.	4076515.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076515.cif
51987	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076515 via cif-deposit CGI script.	4076515.cif