Crystallography Open Database

Information card for entry 7112904

Preview

Coordinates	7112904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H58 Mn6 N12 O24
Calculated formula	C52 H58 Mn6 N12 O24
SMILES	C1c2ccc(cc2O[Mn]234N=N#[N][Mn]567[N](=Cc8ccc(OC)cc8O6)O[Mn]68([N](=Cc9ccc(cc9O8)OC)O[Mn]8(Oc9c(C=[N]8O7)ccc(c9)OC)([O]56)([OH]C)[OH]C)N=N#[N][Mn]56([N](=Cc7ccc(OC)cc7O5)O2)[O]4[Mn]2([N](O6)=Cc4ccc(cc4O2)OC)(O[N]=13)([OH]C)[OH]C)OC
Title of publication	A manganese single-chain magnet exhibits a large magnetic coercivity.
Authors of publication	Yang, Chen-I; Tsai, Yu-Jhe; Hung, Shao-Po; Tsai, Hui-Lien; Nakano, Motohiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	31
Pages of publication	5716 - 5718
a	10.0446 ± 0.0005 Å
b	22.302 ± 0.0012 Å
c	13.3085 ± 0.0007 Å
α	90°
β	90.165 ± 0.001°
γ	90°
Cell volume	2981.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0863
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180243 (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 7/11/29.	7112904.cif
112152	2014-04-30	cif/ Adding structures of 7112904 via cif-deposit CGI script.	7112904.cif