Crystallography Open Database

Information card for entry 1540406

Preview

Coordinates	1540406.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	NiGdCr
Formula	C24.65 H18 Cr Gd N8 Ni O10.65
Calculated formula	C24.651 H18 Cr Gd N8 Ni O10.651
SMILES	[Gd]123([O]4[Ni]56[O]1c1c([O]3C)cccc1C=[N]6CC[N]5=Cc1cccc(c41)[O]2C)([OH2])([OH2])([OH2])([OH2])[N]#C[Cr](C#N)(C#N)(C#N)(C#N)C#N.O.O.OC
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	13.071 ± 0.003 Å
b	12.139 ± 0.002 Å
c	21.735 ± 0.004 Å
α	90°
β	106.84 ± 0.03°
γ	90°
Cell volume	3300.8 ± 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	0.0607
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0985
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	1540406.cif
169703	2015-10-23	cif/ Adding structures of 1540406, 1540407, 1540408, 1540409 via cif-deposit CGI script.	1540406.cif