Crystallography Open Database

Information card for entry 4345645

Preview

Coordinates	4345645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H45 N O3 Pt S
Calculated formula	C35 H45 N O3 Pt S
SMILES	[Pt]12(c3c(c4[n]1cc(c1sccc1)c1c4CCC1)ccc(OCCCCCCCCCCCC)c3)OC(=CC(=[O]2)C)C
Title of publication	Tuning the Excimer Emission of Amphiphilic Platinum(II) Complexes Mediated by Phospholipid Vesicles.
Authors of publication	Shafikov, Marsel Z.; Suleymanova, Alfiya F.; Kozhevnikov, Dmitry N.; König, Burkhard
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	9
Pages of publication	4885 - 4897
a	6.98029 ± 0.00013 Å
b	7.6854 ± 0.00015 Å
c	32.2691 ± 0.0005 Å
α	90.599 ± 0.0015°
β	94.8494 ± 0.0014°
γ	107.467 ± 0.0017°
Cell volume	1644.22 ± 0.05 Å³
Cell temperature	293 ± 1 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	0.0555
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.1136
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
196130 (current)	2017-05-05	cif/ Updating files of 4345645 Original log message: Adding full bibliography for 4345645.cif.	4345645.cif
195264	2017-04-08	cif/ Adding structures of 4345645 via cif-deposit CGI script.	4345645.cif