Crystallography Open Database

Information card for entry 7112807

Preview

Coordinates	7112807.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H68 Cr Cu2 Gd N8 O32
Calculated formula	C26 H36 Cr Cu2 Gd N8 O32
SMILES	C1CC[NH]2CC[NH]3CCCN4[Cu]23N1C1C4=[O][Gd]23([O]=1)([O]=C1O[Cr]45(OC1=[O]3)(OC(=O)C(=O)O4)OC(=O)C(=O)O5)([OH2])([O]=C1C(N3[Cu]45[NH](CC[NH]4CCCN15)CCC3)=[O]2)[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Multi-component synthesis of trimetallic tetranuclear clusters [Cu(L)(H(2)O)](2)Ln(H(2)O)(2)Cr(C(2)O(4))(3).12H(2)O (H(2)L = 1,4,8,11-tetraazacyclotradecane-2,3-dione, Ln(3+) = Gd, Tb and Dy).
Authors of publication	Kou, Hui-Zhong; Hu, Kong-Qiu; Zhao, Hao-Yan; Tang, Junkui; Cui, Ai-Li
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	35
Pages of publication	6533 - 6535
a	18.7457 ± 0.0007 Å
b	16.3391 ± 0.0007 Å
c	16.9184 ± 0.0006 Å
α	90°
β	100.381 ± 0.001°
γ	90°
Cell volume	5097.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112807.cif
112100	2014-04-29	cif/ Adding structures of 7112807, 7112808 via cif-deposit CGI script.	7112807.cif