Crystallography Open Database

Information card for entry 7118616

Preview

Coordinates	7118616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H72 Au Cl3 N2 O4 P2 Ru
Calculated formula	C62 H72 Au Cl3 N2 O4 P2 Ru
SMILES	[Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[P](C[P]([Ru]12345(Cl)(Cl)[cH]6[cH]1[c]2([cH]3[cH]4[c]56C(C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[O-]Cl(=O)(=O)=O
Title of publication	Versatile synthesis of cationic N-heterocyclic carbene-gold(i) complexes containing a second ancillary ligand. Design of heterobimetallic ruthenium-gold anticancer agents.
Authors of publication	Fernández-Gallardo, Jacob; Elie, Benelita T.; Sanaú, Mercedes; Contel, María
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	15
Pages of publication	3155 - 3158
a	21.2 ± 0.004 Å
b	14.09 ± 0.003 Å
c	22.972 ± 0.005 Å
α	90°
β	93.02 ± 0.03°
γ	90°
Cell volume	6852 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1929
Weighted residual factors for all reflections included in the refinement	0.2056
Goodness-of-fit parameter for all reflections included in the refinement	0.889
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
177664 (current)	2016-03-05	cif/ Updating files of 7118615, 7118616 Original log message: Adding full bibliography for 7118615--7118616.cif.	7118616.cif
175048	2016-01-26	cif/ Adding structures of 7118615, 7118616 via cif-deposit CGI script.	7118616.cif