Crystallography Open Database

Information card for entry 2020647

2020646 << 2020647 >> 2020648

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Structure parameters

Chemical name	Poly[(ethane-1,2-diol-κ<i>O</i>)(μ-sulfato-κ^2^<i>O</i>:<i>O</i>'){μ~3~-1,3,5-tris[(1<i>H</i>-imidazol-1-yl)methyl]benzene-κ^3^<i>N</i>:<i>N</i>':<i>N</i>''}manganese(II)]
Formula	C20 H24 Mn N6 O6 S
Calculated formula	C20 H24 Mn N6 O6 S
Title of publication	A new three-dimensional manganese(II) coordination polymer based on the 1,3,5-tris[(1<i>H</i>-imidazol-1-yl)methyl]benzene ligand
Authors of publication	Lu, Xin-Hua; Zhong, Kai-Long
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	11
Pages of publication	895 - 900
a	8.8547 ± 0.0006 Å
b	9.9689 ± 0.0007 Å
c	12.9721 ± 0.001 Å
α	97.005 ± 0.001°
β	97.885 ± 0.001°
γ	90.929 ± 0.001°
Cell volume	1125.14 ± 0.14 Å³
Cell temperature	223.15 K
Ambient diffraction temperature	223.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
188955 (current)	2016-12-06	cif/ Updating files of 2020647 Original log message: Adding full bibliography for 2020647.cif.	2020647.cif 2020647.hkl
187530	2016-10-25	cif/ hkl/ Adding structures of 2020647 via cif-deposit CGI script.	2020647.cif 2020647.hkl