Crystallography Open Database

Information card for entry 4318209

Preview

Coordinates	4318209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H90 Au4 B2 Cl2 F8 P4 S2
Calculated formula	C91 H90 Au4 B2 Cl2 F8 P4 S2
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	43.3854 ± 0.0003 Å
b	23.5896 ± 0.0001 Å
c	18.3088 ± 0.0001 Å
α	90°
β	108.309 ± 0.001°
γ	90°
Cell volume	17789.4 ± 0.2 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	4318209.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318209.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318209.cif
14508	2011-03-11	../uploads/cif-deposit/cod/cif Adding structures of 4318209 via cif-deposit CGI script.	4318209.cif