Crystallography Open Database

Information card for entry 2312563

Preview

Coordinates	2312563.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-bis[(acetonitrile-κ<i>N</i>)[3,3'-bis(pyridin-2-yl)-1,1'-(methylidene)bis(benzimidazol-2-ylidene)]iron(II) tris(hexafluorophosphate),
Formula	C55 H42 F18 Fe2 N15 P3
Calculated formula	C55 H42 F18 Fe2 N15 P3
Title of publication	Formation of a diiron-(μ-η<sup>1</sup>:η<sup>1</sup>-CN) complex from acetonitrile solution.
Authors of publication	Schlachta, Tim P.; Sauer, Michael J.; Richter, Leon F.; Kühn, Fritz E
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	9
a	25.562 ± 0.002 Å
b	17.0373 ± 0.0015 Å
c	14.8998 ± 0.0012 Å
α	90°
β	112.112 ± 0.003°
γ	90°
Cell volume	6011.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294064 (current)	2024-08-09	cif/ Adding structures of 2312563 via cif-deposit CGI script.	2312563.cif