Crystallography Open Database

Information card for entry 2206697

2206696 << 2206697 >> 2206698

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2206697.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	catena-Poly[piperazinium(2+) [ferrate(III)-μ-hydroxo-κ^2^O:O- di-μ-sulfato-κ^4^O:O'] monohydrate]
Formula	C4 H15 Fe N2 O10 S2
Calculated formula	C4 H15 Fe N2 O10 S2
SMILES	[Fe]12(OS(=O)(=O)[O-])(OS(=O)(=O)[O-])(O)OS(=O)(=O)O[Fe](OS(=O)(=O)O1)[OH]2.O.[NH2+]1CC[NH2+]CC1.O.[NH2+]1CC[NH2+]CC1
Title of publication	<i>catena</i>-Poly[piperazinium(2+) [ferrate(III)-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>-di-μ-sulfato-κ^4^<i>O</i>:<i>O</i>'] monohydrate]
Authors of publication	Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1831 - m1833
a	9.257 ± 0.0006 Å
b	18.318 ± 0.001 Å
c	7.1562 ± 0.0004 Å
α	90°
β	98.094 ± 0.001°
γ	90°
Cell volume	1201.39 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.045
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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