Crystallography Open Database

Information card for entry 7112502

Preview

Coordinates	7112502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Au N2 O S
Calculated formula	C26 H27 Au N2 O S
Title of publication	TrxR inhibition and antiproliferative activities of structurally diverse gold N-heterocyclic carbene complexes
Authors of publication	Rubbiani, Riccardo; Schuh, Esther; Meyer, Andreas; Lemke, Jessika; Wimberg, Jan; Metzler-Nolte, Nils; Meyer, Franc; Mohr, Fabian; Ott, Ingo
Journal of publication	MedChemComm
Year of publication	2013
Journal volume	4
Journal issue	6
Pages of publication	942
a	9.77 ± 0.0002 Å
b	9.7877 ± 0.0003 Å
c	12.2436 ± 0.0005 Å
α	88.65 ± 0.003°
β	87.135 ± 0.003°
γ	75.316 ± 0.002°
Cell volume	1131.08 ± 0.06 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180239 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/25.	7112502.cif
110361	2014-04-18	cif/ Adding structures of 7112502 via cif-deposit CGI script.	7112502.cif