Crystallography Open Database

Information card for entry 2206761

2206760 << 2206761 >> 2206762

Preview

Coordinates	2206761.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	catena-Poly[4,4'-bipyridinium [[diaquadisulfatomanganate(II)]-μ-4,4'- bipyridine-κ^2^N:N'] dihydrate]
Formula	C20 H26 Mn N4 O12 S2
Calculated formula	C20 H26 Mn N4 O12 S2
SMILES	[Mn](OS(=O)(=O)[O-])(OS(=O)(=O)[O-])([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Mn](OS(=O)(=O)[O-])(OS(=O)(=O)[O-])([OH2])[OH2].O.O.O.O.[nH+]1ccc(cc1)c1cc[nH+]cc1.[nH+]1ccc(cc1)c1cc[nH+]cc1
Title of publication	<i>catena</i>-Poly[4,4'-bipyridinium [[diaquadisulfatomanganate(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
Authors of publication	Fan, Sai-Rong; Zhu, Long-Guan
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1689 - m1691
a	6.9619 ± 0.0008 Å
b	9.3723 ± 0.0011 Å
c	9.9791 ± 0.0011 Å
α	74.9 ± 0.002°
β	89.418 ± 0.002°
γ	78.241 ± 0.002°
Cell volume	614.82 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.0384
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.092
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.