Crystallography Open Database

Information card for entry 2243923

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Structure parameters

Chemical name	Hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)iron(III) μ-chlorido-bis(trichloridocadmium)
Formula	C18 H42 Cd2 Cl7 Fe N6 O6
Calculated formula	C18 H42 Cd2 Cl7 Fe N6 O6
SMILES	C(N(C)C)=[O][Fe]([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)([O]=CN(C)C)[O]=CN(C)C.[Cd]([Cl][Cd](Cl)(Cl)Cl)(Cl)(Cl)Cl
Title of publication	Crystal structure of hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)iron(III) μ-chlorido-bis(trichloridocadmium)
Authors of publication	Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Petrusenko, Svitlana; Sobolev, Alexandre N.
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	10
a	13.7143 ± 0.0002 Å
b	13.7143 Å
c	16.1312 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2627.51 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0574
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
269241 (current)	2021-09-22	cif/ hkl/ Adding structures of 2243923 via cif-deposit CGI script.	2243923.cif 2243923.hkl