Crystallography Open Database

Information card for entry 4132458

Preview

Coordinates	4132458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H88 Au2 Cl6 F12 N2 P2 Sb2
Calculated formula	C64 H88 Au2 Cl6 F12 N2 P2 Sb2
SMILES	C[N]1(C)c2ccccc2[P](C23CC4CC(CC(C2)C4)C3)([Au]1(c1ccc([Au]2([N](C)(C)c3ccccc3[P]2(C23CC4CC(CC(C2)C4)C3)C23CC4CC(CC(C2)C4)C3)Cl)cc1)Cl)C12CC3CC(CC(C1)C3)C2.F[Sb](F)(F)(F)(F)[F-].C(Cl)Cl.F[Sb](F)(F)(F)(F)[F-].C(Cl)Cl
Title of publication	Organometallic Gold(III) Reagents for Cysteine Arylation.
Authors of publication	Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	23
Pages of publication	7065 - 7069
a	20.8838 ± 0.001 Å
b	17.9885 ± 0.001 Å
c	18.4736 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6939.9 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
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
242438 (current)	2019-11-26	cif/ Adding structures of 4132456, 4132457, 4132458, 4132459, 4132460, 4132461, 4132462, 4132463, 4132464, 4132465 via cif-deposit CGI script.	4132458.cif