Crystallography Open Database

Information card for entry 1559906

Preview

Coordinates	1559906.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(μ-cyano)-tetracyano-nitrosyl-(3,3'-(piperazine-1,4-diyl) dipropan-1-amine)-iron(ii)-copper(ii)
Formula	C15 H24 Cu Fe N10 O
Calculated formula	C15 H24 Cu Fe N10 O
SMILES	[Cu]123([N]4(CC[N]1(CC4)CCC[NH2]2)CCC[NH2]3)[N]#C[Fe](N=O)(C#N)(C#N)(C#N)C#N
Title of publication	Structure and magnetic properties of binuclear [Cu(amppz) (μ-NC)Fe(CN)4NO] (amppz = 1,4-bis(3-aminopropyl) piperazine)
Authors of publication	Smékal, Zdeněk; Maris, Thierry; Korabik, Maria
Journal of publication	Journal of coordination chemistry
Year of publication	2014
Journal volume	67
Pages of publication	3167 - 3175
a	10.5603 ± 0.0005 Å
b	10.7805 ± 0.0005 Å
c	18.3122 ± 0.0008 Å
α	90°
β	95.561 ± 0.002°
γ	90°
Cell volume	2074.95 ± 0.16 Å³
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1144
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260378 (current)	2021-01-02	cif/ Adding structures of 1559906 via cif-deposit CGI script.	1559906.cif