Crystallography Open Database

Information card for entry 4064713

Preview

Coordinates	4064713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H35 Au F6 P Sb
Calculated formula	C25 H35 Au F6 P Sb
SMILES	[Au]1([P](C(C)(C)C)(C(C)(C)C)c2ccccc2c2ccccc2)[CH2]=[CH]1/C=C/C.[Sb](F)(F)(F)([F-])(F)F
Title of publication	Syntheses, X-ray Crystal Structures, and Solution Behavior of Cationic, Two-Coordinate Gold(I) η2-Diene Complexes
Authors of publication	Brooner, Rachel E. M.; Widenhoefer, Ross A.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	11
Pages of publication	3182
a	14.7819 ± 0.0008 Å
b	9.6112 ± 0.0005 Å
c	19.9187 ± 0.001 Å
α	90°
β	98.13 ± 0.003°
γ	90°
Cell volume	2801.4 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
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	0.0807
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178541 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/47.	4064713.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064713.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064713.cif
33015	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064713, 4064714, 4064715, 4064716 via cif-deposit CGI script.	4064713.cif