Crystallography Open Database

Information card for entry 1562302

Preview

Coordinates	1562302.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 Au Cl2 N O2 P2
Calculated formula	C44 H42 Au Cl2 N O2 P2
SMILES	[Au]12([P](c3ccccc3[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([n]1c(Cc3c2cccc3)cccc1)Cl.[Cl-].OC.OC
Title of publication	Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.
Authors of publication	Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.
Journal of publication	Chemical science
Year of publication	2021
Journal volume	12
Journal issue	21
Pages of publication	7467 - 7479
a	13.5131 ± 0.0003 Å
b	16.8347 ± 0.0004 Å
c	18.5104 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4210.91 ± 0.16 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
268626 (current)	2021-09-06	cif/ Updating files of 1562299, 1562300, 1562301, 1562302 Original log message: Adding full bibliography for 1562299--1562302.cif.	1562302.cif
264711	2021-04-30	cif/ Adding structures of 1562299, 1562300, 1562301, 1562302 via cif-deposit CGI script.	1562302.cif