Crystallography Open Database

Information card for entry 4119349

4119348 << 4119349 >> 4119350

Preview

Coordinates	4119349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H54 Cl2 N6 O2 Pt S2
Calculated formula	C39 H54 Cl2 N6 O2 Pt S2
SMILES	[Pt](Cl)(Cl)([NH2]c1ccc(C2(c3[nH]c(cc3)C(c3[nH]c(C(C)(C)c4[nH]c(C(C)(C)c5[nH]c2cc5)cc4)cc3)(C)C)C)cc1)[S](=O)(C)C.S(=O)(C)C.N#CC
Title of publication	Drug Delivery with a Calixpyrrole-trans-Pt(II) Complex
Authors of publication	Grazia Cafeo; Grazia Carbotti; Angela Cuzzola; Marina Fabbi; Silvano Ferrini; Franz H. Kohnke; Georgia Papanikolaou; Maria Rosaria Plutino; Camillo Rosano; Andrew J. P. White
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	2544 - 2551
a	13.52737 ± 0.00015 Å
b	17.6421 ± 0.0002 Å
c	18.1903 ± 0.0002 Å
α	90°
β	99.5309 ± 0.0011°
γ	90°
Cell volume	4281.21 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0413
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178964 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/93.	4119349.cif
103499	2014-03-05	cif/ Adding structures of 4119349 via cif-deposit CGI script.	4119349.cif