Crystallography Open Database

Information card for entry 7233901

Preview

Coordinates	7233901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H84 N6 O4 Pt
Calculated formula	C60 H84 N6 O4 Pt
SMILES	c1(cc2c3cccc[n]3[Pt]3(n2n1)n1c(cc(c2cc(cc(c2)OCCCCCCCC)OCCCCCCCC)n1)c1cccc[n]31)c1cc(cc(c1)OCCCCCCCC)OCCCCCCCC
Title of publication	Columnar discotic Pt(ii) metallomesogens as luminescence multifunctional materials with chemo and thermosensor abilities
Authors of publication	Cristian Cuerva; Jose A. Campo; Paloma Ovejero; M. Rosario Torres; Elisabete Oliveira; Sergio M. Santos; Carlos Lodeiro; Mercedes Cano
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	9167 - 9181
a	6.7075 ± 0.0008 Å
b	17.804 ± 0.002 Å
c	24.778 ± 0.003 Å
α	79.629 ± 0.002°
β	85.17 ± 0.002°
γ	83.157 ± 0.003°
Cell volume	2883.9 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1548
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
218359 (current)	2019-09-17	cif/ Adding structures of 7233901 via cif-deposit CGI script.	7233901.cif