Crystallography Open Database

Information card for entry 4084229

Preview

Coordinates	4084229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H46 Au F6 N P Sb
Calculated formula	C33 H46 Au F6 N P Sb
SMILES	[Au]([P](C(C)(C)C)(C(C)(C)C)c1c(cccc1)c1ccccc1)[C@@H](C)C(=[N+](CC)CC)c1ccccc1.[Sb](F)(F)(F)(F)([F-])F
Title of publication	Structure and Dynamic Behavior of Phosphine Gold(I)-Coordinated Enamines: Characterization of α-Metalated Iminium Ions
Authors of publication	Sriram, Madhavi; Zhu, Yuyang; Camp, Andrew M.; Day, Cynthia S.; Jones, Amanda C.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	16
Pages of publication	4157
a	10.6156 ± 0.0015 Å
b	14.969 ± 0.002 Å
c	22.146 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3519.1 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0799
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178731 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/42.	4084229.cif
123103	2014-09-06	cif/ Updating files of 4084228, 4084229, 4084230, 4084231, 4084232 Original log message: Adding full bibliography for 4084228--4084232.cif.	4084229.cif
122159	2014-08-18	cif/ Adding structures of 4084228, 4084229, 4084230, 4084231, 4084232 via cif-deposit CGI script.	4084229.cif