Crystallography Open Database

Information card for entry 7205835

7205834 << 7205835 >> 7205836

Preview

Coordinates	7205835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H66 Mn3 N0 O18
Calculated formula	C54 H64 Mn3 O18
Title of publication	Two new ferrimagnetic MnII-carboxylate coordination polymers constructed from 5-tert-butyl isophthalic acid with (5/2, 15/2) and (5/2, 10/2) spin topologies
Authors of publication	Tian, Chong-Bin; He, Zhang-Zhen; Li, Zhi-Hua; Lin, Ping; Du, Shao-Wu
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	8
Pages of publication	3080
a	9.324 ± 0.004 Å
b	9.821 ± 0.004 Å
c	16.303 ± 0.007 Å
α	87.715 ± 0.012°
β	77.376 ± 0.013°
γ	72.201 ± 0.009°
Cell volume	1386.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0725
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205835.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205835.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205835.cif
21026	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205834, 7205835 via cif-deposit CGI script.	7205835.cif