Crystallography Open Database

Information card for entry 4106342

Preview

Coordinates	4106342.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[AuBr(dppe)]2 .2DMSO
Formula	C56 H60 Au2 Br2 O2 P4 S2
Calculated formula	C56 H60 Au2 Br2 O2 P4 S2
Title of publication	Molecular Accordion: Vapoluminescence and Molecular Flexibility in the Orange and Green Luminescent Crystals of the Dimer, Au2(μ-bis-(diphenylphosphino)ethane)2Br2
Authors of publication	Sang Ho Lim; Marilyn M. Olmstead; Alan L. Balch
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	10229 - 10238
a	10.6725 ± 0.0004 Å
b	23.1389 ± 0.0009 Å
c	11.7127 ± 0.0005 Å
α	90°
β	106.416 ± 0.004°
γ	90°
Cell volume	2774.5 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0508
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178809 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/63.	4106342.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106342.cif
53142	2012-04-18	cif/ Adding structures of 4106342 via cif-deposit CGI script.	4106342.cif