Crystallography Open Database

Information card for entry 7055056

Preview

Coordinates	7055056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 N5 Ni O17 Tb
Calculated formula	C23 H32 N5 Ni O17 Tb
SMILES	[Tb]123456([O]7[Ni]89([N](=Cc%10c7c(ccc%10)[O]1C)OCCO[N]8=Cc1cccc(c1[O]39)[O]4C)(ON(=O)=[O]5)[OH]C)([O]=N(=O)O6)ON(=O)=[O]2.CCOCC
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	10.0281 ± 0.0014 Å
b	12.0551 ± 0.0017 Å
c	15.254 ± 0.002 Å
α	71.779 ± 0.002°
β	86.572 ± 0.002°
γ	68.175 ± 0.002°
Cell volume	1622.7 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7055056.cif
153486	2015-08-18	cif/ Adding structures of 7055053, 7055054, 7055055, 7055056, 7055057 via cif-deposit CGI script.	7055056.cif