Crystallography Open Database

Information card for entry 7021191

Preview

Coordinates	7021191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H43 Cl2 F4 N P2 Pd S
Calculated formula	C64 H43 Cl2 F4 N P2 Pd S
SMILES	[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1c(c(c(c(c1F)F)c1ccc2c3c1cccc3c1c3c2cccc3ccc1)F)F)N=C=S.C(Cl)Cl
Title of publication	Highly fluorescent complexes with gold, palladium or platinum linked to perylene through a tetrafluorophenyl group.
Authors of publication	Lentijo, Sergio; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	18
Pages of publication	6353 - 6365
a	11.526 ± 0.003 Å
b	12.499 ± 0.004 Å
c	20.347 ± 0.006 Å
α	78.327 ± 0.006°
β	80.155 ± 0.006°
γ	70.918 ± 0.006°
Cell volume	2695.4 ± 1.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179916 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/11.	7021191.cif
86129	2013-05-09	cif/ Adding structures of 7021189, 7021190, 7021191 via cif-deposit CGI script.	7021191.cif