Crystallography Open Database

Information card for entry 4309946

Preview

Coordinates	4309946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cu N5 O13 Tb
Calculated formula	C12 H16 Cu N5 O13 Tb
SMILES	[Tb]1234([O](Cc5[n]6cccc5)[Cu]56[O]1Cc1[n]5cccc1)(ON(=[O]3)=O)([O]=N(=O)O4)(ON(=[O]2)=O)([OH2])[OH2]
Title of publication	Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes
Authors of publication	Feng He; Ming-Liang Tong; Xiao-Ming Chen
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8285 - 8292
a	7.6049 ± 0.0005 Å
b	19.5974 ± 0.0013 Å
c	13.6724 ± 0.0009 Å
α	90°
β	104.438 ± 0.001°
γ	90°
Cell volume	1973.3 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0346
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
179137 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/99.	4309946.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309946.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309946.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309946.cif