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Information card for entry 7026707
Preview
Coordinates | 7026707.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H45 Cl3 Mn3 N12 O18 |
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Calculated formula | C30 H45 Cl3 Mn3 N12 O18 |
SMILES | c12c(cnc3c4[n]([Mn]5([n]13)([O]=C2O[Mn]12([n]3c(c(cnc3c3nccc[n]23)C)C(=[O]1)O[Mn]12([n]3c(c(cnc3c3nccc[n]23)C)C(=[O]1)O5)([OH2])[OH2])([OH2])[OH2])([OH2])[OH2])cccn4)C.O.O.[Cl-].O.O.O.O.[Cl-].[Cl-] |
Title of publication | A unique single carboxylate-bridged spin-frustrated chiral Mn(II) metallatriangle. |
Authors of publication | Perea-Buceta, Jesús E; Mota, Antonio J.; Costes, Jean-Pierre; Sillanpää, Reijo; Krzystek, J.; Colacio, Enrique |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 42 |
Pages of publication | 10286 - 10292 |
a | 20.011 ± 0.0006 Å |
b | 20.011 ± 0.0006 Å |
c | 10.0549 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3486.95 ± 0.18 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for all reflections | 0.0512 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.104 |
Weighted residual factors for all reflections included in the refinement | 0.1058 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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