Crystallography Open Database

Information card for entry 1540408

Preview

Coordinates	1540408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 Fe N8 Ni O11 Tb
Calculated formula	C25 H18 Fe N8 Ni O11 Tb
SMILES	C([Fe](C#N)(C#N)(C#N)(C#N)C#N)#[N][Tb]123([O]4[Ni]56[N](=Cc7cccc(c47)[O]2C)CC[N]5=Cc2cccc(c2[O]16)[O]3C)([OH2])([OH2])([OH2])[OH2].CO.O.O
Title of publication	Construction of Ni(II)Ln(III)M(III) (Ln = Gd(III), Tb(III); M = Fe(III), Cr(III)) clusters showing slow magnetic relaxations.
Authors of publication	Chen, Chao; Liu, Yashu; Li, Ping; Zhou, Hongbo; Shen, Xiaoping
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	46
Pages of publication	20193 - 20199
a	12.861 ± 0.003 Å
b	12.014 ± 0.002 Å
c	21.577 ± 0.004 Å
α	90°
β	106.73 ± 0.03°
γ	90°
Cell volume	3192.8 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0364
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0786
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
171132 (current)	2015-12-09	cif/ Updating files of 1540406, 1540407, 1540408, 1540409 Original log message: Adding full bibliography for 1540406--1540409.cif.	1540408.cif
169703	2015-10-23	cif/ Adding structures of 1540406, 1540407, 1540408, 1540409 via cif-deposit CGI script.	1540408.cif