Crystallography Open Database

Information card for entry 7706784

Preview

Coordinates	7706784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H37 Au Br2 Cl2 Fe P2
Calculated formula	C42 H37 Au Br2 Cl2 Fe P2
SMILES	[Au](Br)[P](c1c(cccc1)C[P+]([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]9[cH]8[cH]71)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].ClCCl
Title of publication	Development of a novel highly anti-proliferative family of gold complexes: Au(i)-phosphonium-phosphines.
Authors of publication	Rousselle, Benjamin; Bouyer, Florence; Bayardon, Jérôme; Laly, Myriam; Ghiringhelli, François; Rousselin, Yoann; Bodio, Ewen; Malacea-Kabbara, Raluca
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	14
Pages of publication	4880 - 4889
a	18.7538 ± 0.0015 Å
b	17.9377 ± 0.0014 Å
c	23.5541 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	7923.6 ± 1.1 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
266072 (current)	2021-06-05	cif/ Updating files of 7706784, 7706785 Original log message: Adding full bibliography for 7706784--7706785.cif.	7706784.cif
262786	2021-03-06	cif/ Adding structures of 7706784, 7706785 via cif-deposit CGI script.	7706784.cif