Crystallography Open Database

Information card for entry 7022106

Preview

Coordinates	7022106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H79 Cu4 Fe4 N11 O27
Calculated formula	C73 H67 Cu4 Fe4 N11 O27
Title of publication	Syntheses, structure, and magnetic properties of heteronuclear Cu(II)4Fe(III)4 cluster and Cu(II)8 bimetallacycles.
Authors of publication	Hu, Kong-Qiu; Wu, Shu-Qi; An, Guang-Yu; Cui, Ai-Li; Kou, Hui-Zhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	4
Pages of publication	1102 - 1108
a	29.714 ± 0.003 Å
b	29.714 ± 0.003 Å
c	16.257 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	12431 ± 2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0871
Weighted residual factors for significantly intense reflections	0.1938
Weighted residual factors for all reflections included in the refinement	0.1983
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
179926 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/21.	7022106.cif
89978	2013-11-17	cif/ Adding structures of 7022105, 7022106, 7022107 via cif-deposit CGI script.	7022106.cif