Crystallography Open Database

Information card for entry 4503813

Preview

Coordinates	4503813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 Mn N2 O6
Calculated formula	C18 H21 Mn N2 O6
SMILES	[Mn]123(Oc4c(cccc4C=[N]1CCN2C(=O)c1c(O3)cccc1)OC)([OH2])[OH]C
Title of publication	One-Dimensional Mn(III) Coordination Polymer Exhibiting Ferromagnetic Coupling
Authors of publication	Kou, Hui-Zhong; Wang, Yi-Tong; Luo, Wang-Xi; Xie, Qi-Wei; Tao, Jun; Cui, Ai-Li; Shen, De-Zhong
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	11
Pages of publication	3908
a	9.1082 ± 0.0018 Å
b	10.184 ± 0.002 Å
c	11.642 ± 0.002 Å
α	65.43 ± 0.03°
β	81.75 ± 0.03°
γ	69.72 ± 0.03°
Cell volume	921.2 ± 0.4 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	0.1448
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
179573 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/38.	4503813.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503813.cif
41784	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503813, 4503814 via cif-deposit CGI script.	4503813.cif