Crystallography Open Database

Information card for entry 7055054

Preview

Coordinates	7055054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N7 Ni O15 Tb
Calculated formula	C22 H24 N7 Ni O15 Tb
SMILES	[Tb]123456([O]7[Ni]89([N](=Cc%10c7c(ccc%10)[O]1C)OCCO[N]8=Cc1cccc(c1[O]29)[O]4C)([N]#CC)[N]#CC)(ON(=[O]5)=O)([O]=N(=O)O6)ON(=[O]3)=O
Title of publication	Synthesis, structures and magnetism of a series of dinuclear and one-dimensional Ni‒Ln complexes: single-molecule magnetic behavior in one-dimensional nitrate-bridged Dy analogue
Authors of publication	Yao, Min-Xia; Lu, Xing-Yun; Zhu, Zhao-Xia; Deng, Xiao-Wei; Jing, Su
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	11
Pages of publication	8356
a	10.309 ± 0.003 Å
b	17.095 ± 0.005 Å
c	17.232 ± 0.005 Å
α	90°
β	96.548 ± 0.004°
γ	90°
Cell volume	3017 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
171312 (current)	2015-12-09	cif/ Updating files of 7055053, 7055054, 7055055, 7055056, 7055057 Original log message: Adding full bibliography for 7055053--7055057.cif.	7055054.cif
153486	2015-08-18	cif/ Adding structures of 7055053, 7055054, 7055055, 7055056, 7055057 via cif-deposit CGI script.	7055054.cif