Crystallography Open Database

Information card for entry 2214519

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Structure parameters

Chemical name	catena-Poly[[aqua(pyrazine-2-carboxylato-κ^2^N^1^,O)manganese(II)]- μ-pyrazine-2-carboxylato-κ^3^-κ^2^N^1^,O:N^4^]
Formula	C10 H8 Mn N4 O5
Calculated formula	C10 H8 Mn N4 O5
SMILES	[Mn]12([n]3c(C(=O)O2)cncc3)([n]2c(C(=O)O1)cncc2)([OH2])[n]1cc[n]2[Mn]3([n]4c(C(=O)O3)cncc4)([OH2])OC(=O)c2c1
Title of publication	<i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)manganese(II)]-μ-pyrazine-2-carboxylato-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^]
Authors of publication	Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	m2185 - m2185
a	7.722 ± 0.001 Å
b	10.0002 ± 0.0001 Å
c	14.8836 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1149.33 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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