Crystallography Open Database

Information card for entry 2241826

Preview

Coordinates	2241826.cif
Structure factors	2241826.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(+)-<i>trans</i>-Chlorido{2-[(<i>R</i>~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-<i>c</i>]imidazol-3-ylidene}bis(triphenylphosphane-κ<i>P</i>)palladium(II) hexafluoridophosphate dichloroform disolvate
Formula	C55 H50 Cl7 F6 Fe N2 P3 Pd S
Calculated formula	C55 H50 Cl7 F6 Fe N2 P3 Pd S
Title of publication	(+)-<i>trans</i>-Chlorido{2-[(<i>R</i>~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-<i>c</i>]imidazol-3-ylidene}bis(triphenylphosphane-κ<i>P</i>)palladium(II) hexafluoridophosphate dichloroform disolvate
Authors of publication	Wilson-Konderka, Cody; Lough, Alan J.; Metallinos, Costa
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	9
Pages of publication	1330 - 1334
a	11.2517 ± 0.0005 Å
b	16.424 ± 0.001 Å
c	31.1181 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	5750.6 ± 0.5 Å³
Cell temperature	147 ± 2 K
Ambient diffraction temperature	147 ± 2 K
Number of distinct elements	9
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
186043 (current)	2016-08-27	cif/ hkl/ Adding structures of 2241826 via cif-deposit CGI script.	2241826.cif 2241826.hkl