Crystallography Open Database

Information card for entry 1515136

Preview

Coordinates	1515136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H56 Cl4 N16 Pd2 Pt2
Calculated formula	C76 H56 Cl4 N16 Pd2 Pt2
SMILES	[Pt](Cl)(Cl)([NH3])[NH3].[Pt](Cl)(Cl)([NH3])[NH3].[Pd]123[n]4cccc(c4)C#Cc4nc(ccc4)C#Cc4ccc[n]([Pd]([n]5cccc(c5)C#Cc5nc(ccc5)C#Cc5ccc[n]2c5)([n]2cccc(C#Cc5nc(C#Cc6ccc[n]1c6)ccc5)c2)[n]1cccc(c1)C#Cc1nc(ccc1)C#Cc1ccc[n]3c1)c4
Title of publication	Stimuli-responsive Pd2L4 metallosupramolecular cages: towards targeted cisplatin drug delivery
Authors of publication	Lewis, James E. M.; Gavey, Emma L.; Cameron, Scott A.; Crowley, James D.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	3
Pages of publication	778
a	11.9663 ± 0.0019 Å
b	12.345 ± 0.0019 Å
c	17.495 ± 0.003 Å
α	76.455 ± 0.009°
β	83.846 ± 0.01°
γ	85.135 ± 0.01°
Cell volume	2493.3 ± 0.7 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0965
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.2226
Weighted residual factors for all reflections included in the refinement	0.2379
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
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.	1515136.cif
110875	2014-04-20	cif/ Adding structures of 1515135, 1515136 via cif-deposit CGI script.	1515136.cif