Crystallography Open Database

Information card for entry 1557362

Preview

Coordinates	1557362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H53 Cl2 N3 O4 Pt
Calculated formula	C33 H53 Cl2 N3 O4 Pt
SMILES	[Pt]12(Cl)[n]3ccccc3c3[n]1c(c1[n]2cccc1)cc(OCCCCCCCCCCCC)c3.[Cl-].OCC.OCC.OCC
Title of publication	Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions.
Authors of publication	Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti
Journal of publication	Soft matter
Year of publication	2020
Journal volume	16
Journal issue	11
Pages of publication	2795 - 2802
a	7.4212 ± 0.0001 Å
b	12.1297 ± 0.0002 Å
c	20.0591 ± 0.0003 Å
α	82.046 ± 0.001°
β	86.277 ± 0.001°
γ	85.498 ± 0.002°
Cell volume	1780.09 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0405
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0977
Weighted residual factors for all reflections included in the refinement	0.1007
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
250381 (current)	2020-04-05	cif/ Updating files of 1557361, 1557362 Original log message: Adding full bibliography for 1557361--1557362.cif.	1557362.cif
248363	2020-02-21	cif/ Adding structures of 1557361, 1557362 via cif-deposit CGI script.	1557362.cif