Crystallography Open Database

Information card for entry 7036087

Preview

Coordinates	7036087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N2 Pt S2
Calculated formula	C34 H30 N2 Pt S2
SMILES	[Pt]12(c3c(C=[N]1c1ccc(cc1)CC)c1c4c(c3)c3c5c(c4ccc1)cccc5ccc3)[S]=C(S2)N(CC)CC
Title of publication	Higher fluorescence in platinum(iv) orthometallated complexes of perylene imine compared with their platinum(ii) or palladium(ii) analogues.
Authors of publication	Expósito, J Emilio; Álvarez-Paíno, Marta; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	36
Pages of publication	16164 - 16176
a	9.2229 ± 0.0003 Å
b	7.4651 ± 0.0002 Å
c	40.1846 ± 0.0012 Å
α	90°
β	94.748 ± 0.003°
γ	90°
Cell volume	2757.21 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.253
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
161450 (current)	2015-10-09	cif/ Updating files of 7036086, 7036087, 7036088 Original log message: Adding full bibliography for 7036086--7036088.cif.	7036087.cif
152955	2015-08-06	cif/ Adding structures of 7036086, 7036087, 7036088 via cif-deposit CGI script.	7036087.cif