Crystallography Open Database

Information card for entry 1561150

Preview

Coordinates	1561150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H60 Cu Fe2 N16 O8
Calculated formula	C52 H60 Cu Fe2 N16 O8
SMILES	[NH]12CCC[NH]3[Cu]42([N]#C[Fe]256(C#N)N(c7c(cc(cc7)C)N2C(=O)c2[n]6cccc2)C(=O)c2[n]5cccc2)([N]#C[Fe]256(C#N)N(c7c(cc(cc7)C)N2C(=O)c2[n]6cccc2)C(=O)c2[n]5cccc2)[NH](CC1)CCC[NH]4CC3.O.O.O.O
Title of publication	A serials of sandwich-like trinuclear and one-dimensional chain cyanide-bridged iron(III)-copper(II) complexes: Syntheses, crystal structures and magnetic properties
Authors of publication	Shi, Jingwen; Lan, Wenlong; Ren, Yanjie; Liu, Qingyun; Liu, Hui; Dong, Yunhui; Zhang, Daopeng
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	260
Pages of publication	59 - 66
a	15.514 ± 0.005 Å
b	13.431 ± 0.004 Å
c	13.041 ± 0.004 Å
α	90°
β	91.312 ± 0.006°
γ	90°
Cell volume	2716.6 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1068
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.2204
Weighted residual factors for all reflections included in the refinement	0.2348
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
263171 (current)	2021-03-19	cif/ Adding structures of 1561148, 1561149, 1561150, 1561151, 1561152 via cif-deposit CGI script.	1561150.cif