Crystallography Open Database

Information card for entry 1514795

Preview

Coordinates	1514795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H31 Cl3 N4 O6 Ru
Calculated formula	C34 H31 Cl3 N4 O6 Ru
SMILES	c1cccc2C[N]34Cc5cccc[n]5[Ru]54([n]12)([n]1c(C3)cccc1)OC(=CC(c1ccccc1)=[O]5)c1ccccc1.[O-]Cl(=O)(=O)=O.ClCCl
Title of publication	Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study
Authors of publication	Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	9
Pages of publication	3731
a	23.297 ± 0.002 Å
b	12.4626 ± 0.0012 Å
c	25.803 ± 0.003 Å
α	90°
β	115.977 ± 0.004°
γ	90°
Cell volume	6734.8 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0793
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514795.cif
110266	2014-04-18	cif/ Adding structures of 1514794, 1514795, 1514796 via cif-deposit CGI script.	1514795.cif