Crystallography Open Database

Information card for entry 8103176

Preview

Coordinates	8103176.cif
External links	PubChem

Structure parameters

Chemical name	(μ~2~-2,2'-Bipyrimidine)-octaaquadimanganese(II) bis(sulfate) dihydrate
Formula	C8 H26 Mn2 N4 O18 S2
Calculated formula	C8 H26 Mn2 N4 O18 S2
Title of publication	Crystal structure of octaaqua(?2-2,2'-bipyrimidine)dimanganese(II) bis(sulfate) — water (1:2), [Mn2(H2O)8(C8H6N4)][(SO4)2] · 2H2O
Authors of publication	Kwang Ha
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	313
a	8.1522 ± 0.0005 Å
b	11.6765 ± 0.0007 Å
c	11.9942 ± 0.0007 Å
α	90°
β	91.667 ± 0.001°
γ	90°
Cell volume	1141.23 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0583
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
301880 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure.	8103176.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103176.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103176.cif
29181	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103176 via cif-deposit CGI script.	8103176.cif