Crystallography Open Database

Information card for entry 4318210

Preview

Coordinates	4318210.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H78 Au2 Cl4 P2 S2
Calculated formula	C50 H78 Au2 Cl4 P2 S2
SMILES	c1(ccc(cc1)c1ccc(cc1)S[Au][P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)S[Au][P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.C(Cl)Cl.C(Cl)Cl
Title of publication	Aurophilicity-Based One-Dimensional Arrays of Gold(I) Phenylene-1,3- and -1,4-dithiolates
Authors of publication	Hendrik Ehlich; Annette Schier; Hubert Schmidbaur
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3721 - 3727
a	9.7574 ± 0.0001 Å
b	11.7033 ± 0.0001 Å
c	23.7344 ± 0.0003 Å
α	90°
β	101.336 ± 0.001°
γ	90°
Cell volume	2657.45 ± 0.05 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
179262 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/82.	4318210.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318210.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318210.cif
14509	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318210 via cif-deposit CGI script.	4318210.cif