Crystallography Open Database

Information card for entry 7706785

Preview

Coordinates	7706785.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29 Au Br0.83 Cl3.17 P2
Calculated formula	C33 H29 Au Br0.828 Cl3.172 P2
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	25.312 ± 0.002 Å
b	9.6184 ± 0.0007 Å
c	13.5131 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3289.9 ± 0.4 Å³
Cell temperature	110 ± 0.1 K
Ambient diffraction temperature	110 ± 0.1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1258
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	0.986
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα~1~
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
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.	7706785.cif
262786	2021-03-06	cif/ Adding structures of 7706784, 7706785 via cif-deposit CGI script.	7706785.cif