Crystallography Open Database

Information card for entry 4078004

Preview

Coordinates	4078004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 Au Cl2 F6 P4 Sb
Calculated formula	C36 H56 Au Cl2 F6 P4 Sb
SMILES	[Au]([P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1ccccc1)[P]1=C(C(C)(C)C)P=C(P=C1C(C)(C)C)C(C)(C)C.[Sb](F)(F)(F)(F)(F)[F-].ClCCl
Title of publication	Cationic Gold(I) Complexes of 2,4,6-Tri-tert-butyl-1,3,5-triphosphabenzene
Authors of publication	Townsend, Nell S.; Green, Michael; Russell, Christopher A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	7
Pages of publication	2543
a	12.9395 ± 0.0003 Å
b	13.1635 ± 0.0003 Å
c	14.1076 ± 0.0004 Å
α	80.828 ± 0.001°
β	87.791 ± 0.001°
γ	64.854 ± 0.001°
Cell volume	2146.25 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178669 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/80.	4078004.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078004.cif
57664	2012-05-18	cif/ Adding structures of 4078003, 4078004 via cif-deposit CGI script.	4078004.cif