Crystallography Open Database

Information card for entry 7214830

Preview

Coordinates	7214830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H112 Cl2 Cu8 N22 O28 S6
Calculated formula	C69.996 H112 Cl2 Cu8 N21.996 O28 S5.996
Title of publication	Mono-, Tetra- and octanuclear transition metal complexes of in situ generated schiff base ligands containing up to 12 coordinating atoms: syntheses, structures and magnetism
Authors of publication	Ding, Cai-Xia; Ni, Jia; Yang, Yu-Hua; Ng, Seik-Weng; Wang, Bing-Wu; Xie, Yong-Shu
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	21
Pages of publication	7312
a	27.539 ± 0.0009 Å
b	27.539 ± 0.0009 Å
c	13.4753 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	10219.6 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.079
Weighted residual factors for significantly intense reflections	0.2194
Weighted residual factors for all reflections included in the refinement	0.2401
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180479 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/48.	7214830.cif
110979	2014-04-20	cif/ Adding structures of 7214827, 7214828, 7214829, 7214830 via cif-deposit CGI script.	7214830.cif