Crystallography Open Database

Information card for entry 7000811

Preview

Coordinates	7000811.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Gd4 Mn2 (C40H44O8S4)4 (H2O)2] (H2O)6.28 (CHCl3)7.72
Formula	C167.72 H200.28 Cl23.16 Gd4 Mn2 O40.28 S16
Calculated formula	C167.72 H183.72 Cl23.16 Gd4 Mn2 O40.28 S16
Title of publication	Two MnII2LnIII4 (Ln = Gd, Eu) hexanuclear compounds of p-tert-butylsulfinylcalix[4]arene
Authors of publication	Bi, Yanfeng; Wang, Xiu-Teng; Wang, Bing-Wu; Liao, Wuping; Wang, Xiaofei; Zhang, Hongjie; Gao, Song; Li, Deqian
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	12
Pages of publication	2250 - 2254
a	19.7575 ± 0.0006 Å
b	19.7575 ± 0.0006 Å
c	65.511 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	25572.8 ± 1.6 Å³
Cell temperature	184 ± 2 K
Ambient diffraction temperature	184 ± 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	0.1031
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.251
Weighted residual factors for all reflections included in the refinement	0.2676
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179686 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/08.	7000811.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7000811.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000811.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000811.cif