Crystallography Open Database

Information card for entry 7117414

Preview

Coordinates	7117414.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hydronium catena(bis(2-cyanido)-tetracyanido-(1,4,8,11-tetraazacyclotetradecane)-nickel(III)-iron(II)) pentahydrate
Formula	C16 H37 Fe N10 Ni O6
Calculated formula	C16 H36 Fe N10 Ni O6
Title of publication	Hydration-switchable charge transfer in the first bimetallic assembly based on the [Ni(cyclam)]^3+^ - magnetic CN-bridged chain {(H3O)[Ni^III^(cyclam)][Fe^II^(CN)6]^.^5H2O}n
Authors of publication	Beata Nowicka; Mateusz Reczynski; Michal Rams; Wojciech Nitek; Jan Zukrowski; Czeslaw Kapusta; Barbara Sieklucka
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	11485
a	13.863 ± 0.0004 Å
b	12.502 ± 0.0004 Å
c	10.093 ± 0.0004 Å
α	90°
β	133.02 ± 0.002°
γ	90°
Cell volume	1278.92 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117414.cif
140002	2015-07-04	cif/ Adding structures of 7117414 via cif-deposit CGI script.	7117414.cif