Crystallography Open Database

Information card for entry 1562301

Preview

Coordinates	1562301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H33 Au Cl2 N2 P2
Calculated formula	C41 H33 Au Cl2 N2 P2
SMILES	[Au]1(c2ccccc2Nc2ncccc2)([P](c2ccccc2[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)Cl.[Cl-]
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	10.4667 ± 0.0002 Å
b	16.4519 ± 0.0004 Å
c	23.6049 ± 0.0006 Å
α	90°
β	96.182 ± 0.001°
γ	90°
Cell volume	4041.06 ± 0.16 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0207
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0402
Weighted residual factors for all reflections included in the refinement	0.0409
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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.	1562301.cif
264711	2021-04-30	cif/ Adding structures of 1562299, 1562300, 1562301, 1562302 via cif-deposit CGI script.	1562301.cif