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Information card for entry 7206418
Preview
Coordinates | 7206418.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Na(biphenH2)(EtOH)2(H2O))(Mn(biphen)2(4-cnp)2) |
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Formula | C52 H46 Mn N4 Na O9 |
Calculated formula | C52 H46 Mn N4 Na O9 |
SMILES | [Mn]12([n]3ccc(C#N)cc3)([n]3ccc(C#N)cc3)(Oc3ccccc3c3ccccc3O1)Oc1c(c3c(O2)cccc3)cccc1.[Na]1([OH]c2ccccc2c2ccccc2[OH]1)([OH]CC)([OH]CC)[OH2] |
Title of publication | A series of alternating Na+/M3+ (M = Mn, Fe) covalent and ionic chains |
Authors of publication | Berg, Nelly; Jones, Leigh F. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 17 |
Pages of publication | 5510 |
a | 10.377 ± 0.002 Å |
b | 21.331 ± 0.004 Å |
c | 23.121 ± 0.005 Å |
α | 90° |
β | 99.53 ± 0.03° |
γ | 90° |
Cell volume | 5047.2 ± 1.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1069 |
Residual factor for significantly intense reflections | 0.0725 |
Weighted residual factors for significantly intense reflections | 0.2473 |
Weighted residual factors for all reflections included in the refinement | 0.2652 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7206418.html
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