Crystallography Open Database

Information card for entry 2200446

2200445 << 2200446 >> 2200447

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Structure parameters

Chemical name	Catena-(μ^2^-(1-Hydroxybenzene-3,5-dicarboxylato-O,O',O'',O''')(1,10-phenanthr oline)manganese(II) hydrate)
Formula	C20 H14 Mn N2 O6
Calculated formula	C20 H14 Mn N2 O6
SMILES	[Mn]1234([n]5cccc6c5c5c(ccc[n]15)cc6)[O]=C(O2)c1cc(O)cc(c1)C(=O)O[Mn]12([n]5cccc6c5c5c(ccc[n]15)cc6)[O]=C(O2)c1cc(O)cc(c1)C(=[O][Mn]125([O]=C(c6cc(cc(C7=[O][Mn]8([n]9cccc%10c9c9c(ccc[n]89)cc%10)(O7)OC(=O)c7cc(cc(C(=[O]2)O5)c7)O)c6)O)O3)[n]2cccc3c2c2c(ccc[n]12)cc3)O4.O.O.O.O
Title of publication	<i>catena</i>-Poly[[[(1,10-phenanthroline)manganese(II)]-μ-(1-hydroxybenzene-3,5-dicarboxylato)] hydrate]
Authors of publication	J. M. S. Skakle; M. R. St J. Foreman; M. J. Plater
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	8
Pages of publication	m373 - m375
a	8.6089 ± 0.0005 Å
b	12.2249 ± 0.0007 Å
c	17.3057 ± 0.0011 Å
α	90°
β	100.86 ± 0.002°
γ	90°
Cell volume	1788.68 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	0.85
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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