Crystallography Open Database

Information card for entry 4503814

Preview

Coordinates	4503814.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 Mn N2 O5
Calculated formula	C17 H17 Mn N2 O5
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	10.55 ± 0.002 Å
b	8.526 ± 0.0017 Å
c	18.152 ± 0.004 Å
α	90°
β	97.26 ± 0.03°
γ	90°
Cell volume	1619.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.028
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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.	4503814.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503814.cif
41784	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503813, 4503814 via cif-deposit CGI script.	4503814.cif