Crystallography Open Database

Information card for entry 2206727

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Structure parameters

Chemical name	Bis(piperazinium) di-μ-chloro-bis[diaquadichloromanganese(II)] dichloride
Formula	C8 H32 Cl8 Mn2 N4 O4
Calculated formula	C8 H32 Cl8 Mn2 N4 O4
SMILES	C1C[NH2+]CC[NH2+]1.[Mn]1([OH2])([OH2])([Cl][Mn]([OH2])([OH2])([Cl]1)(Cl)Cl)(Cl)Cl.[Cl-].C1C[NH2+]CC[NH2+]1.[Cl-]
Title of publication	Bis(piperazinium) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride
Authors of publication	Zhi-Min Jin; Li Li; Nan Sun; Mao-Lin Hu; Liang Shen
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	9
Pages of publication	m1711 - m1713
a	9.865 ± 0.002 Å
b	9.429 ± 0.001 Å
c	13.506 ± 0.002 Å
α	90°
β	101.74 ± 0.01°
γ	90°
Cell volume	1230 ± 0.3 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 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	0.0279
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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