Crystallography Open Database

Information card for entry 4514088

Preview

Coordinates	4514088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28 Au F6 N3 P2 S
Calculated formula	C33 H28 Au F6 N3 P2 S
SMILES	[Au]([S]=C(N=C1c2ccccc2Nc2ccccc12)NC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	New Acridine Thiourea Gold(I) Anticancer Agents: Targeting the Nucleus and Inhibiting Vasculogenic Mimicry.
Authors of publication	Pérez, Sergio A; de Haro, Concepción; Vicente, Consuelo; Donaire, Antonio; Zamora, Ana; Zajac, Juraj; Kostrhunova, Hana; Brabec, Viktor; Bautista, Delia; Ruiz, José
Journal of publication	ACS chemical biology
Year of publication	2017
Journal volume	12
Journal issue	6
Pages of publication	1524 - 1537
a	9.5075 ± 0.0004 Å
b	10.8348 ± 0.0005 Å
c	16.6081 ± 0.0007 Å
α	106.325 ± 0.0005°
β	95.4554 ± 0.0005°
γ	92.1864 ± 0.0005°
Cell volume	1630.65 ± 0.12 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	0.0252
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.0466
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
255805 (current)	2020-09-02	cif/4 Fixing Z values and formulae	4514088.cif
198415	2017-07-05	cif/ Updating files of 4514088 Original log message: Adding full bibliography for 4514088.cif.	4514088.cif
195625	2017-04-21	cif/ Adding structures of 4514088 via cif-deposit CGI script.	4514088.cif