Crystallography Open Database

Information card for entry 4343455

Preview

Coordinates	4343455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 F6 Fe N4
Calculated formula	C18 H12 F6 Fe N4
SMILES	[Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)c1cc(C(F)(F)F)n[nH]1)[c]1([cH]5[cH]6[cH]7[cH]81)c1cc(C(F)(F)F)n[nH]1
Title of publication	1,1'-Bis(pyrazol-3-yl)ferrocene: A Clip Ligand That Forms Supramolecular Aggregates and Prismatic Hexanuclear Coinage Metal Complexes.
Authors of publication	Veronelli, Mattia; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	14
Pages of publication	6917 - 6927
a	7.5711 ± 0.0004 Å
b	10.5855 ± 0.0006 Å
c	11.6715 ± 0.0007 Å
α	71.361 ± 0.004°
β	78.379 ± 0.005°
γ	74.926 ± 0.004°
Cell volume	848.65 ± 0.09 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0342
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
154616 (current)	2015-09-06	cif/ Updating files of 4343454, 4343455, 4343456, 4343457 Original log message: Adding full bibliography for 4343454--4343457.cif.	4343455.cif
139721	2015-06-28	cif/ Adding structures of 4343454, 4343455, 4343456, 4343457 via cif-deposit CGI script.	4343455.cif