Crystallography Open Database

Information card for entry 4106341

Preview

Coordinates	4106341.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AuBr(dppe)-0.5Et2O
Formula	C56 H58 Au2 Br2 O P4
Calculated formula	C56 H58 Au2 Br2 O P4
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	26.0742 ± 0.0013 Å
b	9.0076 ± 0.0005 Å
c	24.0854 ± 0.0012 Å
α	90°
β	111.493 ± 0.001°
γ	90°
Cell volume	5263.5 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
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	0.0552
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	4106341.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106341.cif
53141	2012-04-18	cif/ Adding structures of 4106341 via cif-deposit CGI script.	4106341.cif