Crystallography Open Database

Information card for entry 1515461

Preview

Coordinates	1515461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H31 F6 N4 P Pt
Calculated formula	C27 H31 F6 N4 P Pt
SMILES	c1cccc2c3cccc4c5cccc[n]5[Pt]([n]34)(=C3N(C=CN3CCCC)CCCC)c12.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Luminescent cyclometalated platinum(ii) complexes containing N-heterocyclic carbene ligands with potent in vitro and in vivo anti-cancer properties accumulate in cytoplasmic structures of cancer cells
Authors of publication	Wai-Yin Sun, Raymond; Lok-Fung Chow, Andy; Li, Xiao-Hua; Yan, Jessie Jing; Sin-Yin Chui, Stephen; Che, Chi-Ming
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	4
Pages of publication	728
a	13.381 ± 0.003 Å
b	14.391 ± 0.003 Å
c	16.034 ± 0.003 Å
α	90°
β	111.16 ± 0.03°
γ	90°
Cell volume	2879.4 ± 1.2 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 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	0.0599
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	0.736
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.	1515461.cif
111819	2014-04-28	cif/ Adding structures of 1515461, 1515462, 1515463 via cif-deposit CGI script.	1515461.cif