Crystallography Open Database

Information card for entry 1515463

Preview

Coordinates	1515463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H46 F12 N8 P2 Pt2
Calculated formula	C47 H46 F12 N8 P2 Pt2
SMILES	[Pt]12(c3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)=C1N(C=CN1CN1C=CN(C1=[Pt]12c3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)CCCC)CCCC.[P](F)(F)(F)(F)(F)[F-].[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	18.526 ± 0.004 Å
b	22.046 ± 0.004 Å
c	23.559 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	9622 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1515463.cif
111819	2014-04-28	cif/ Adding structures of 1515461, 1515462, 1515463 via cif-deposit CGI script.	1515463.cif