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Information card for entry 7212857
Preview
Coordinates | 7212857.cif |
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Original paper (by DOI) | HTML |
Common name | [Mn(biphen)2(3-pic)2][Na(EtOH)3(biphenH2)] |
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Formula | C54 H58 Mn N2 Na O9 |
Calculated formula | C54 H58 Mn N2 Na O9 |
SMILES | [Mn]12([n]3cccc(C)c3)([n]3cccc(c3)C)(Oc3ccccc3c3ccccc3O1)Oc1ccccc1c1ccccc1O2.[Na]1([OH]c2ccccc2c2ccccc2[OH]1)([OH]CC)([OH]CC)[OH]CC |
Title of publication | Alternating bimetallic Na/Mn covalent and ionic chains |
Authors of publication | Berg, Nelly; Jones, Leigh F. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 3518 |
a | 10.35 ± 0.002 Å |
b | 11.989 ± 0.002 Å |
c | 21.671 ± 0.004 Å |
α | 86.9 ± 0.03° |
β | 78.51 ± 0.03° |
γ | 69.14 ± 0.03° |
Cell volume | 2462 ± 1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0941 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1454 |
Weighted residual factors for all reflections included in the refinement | 0.1634 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7212857.html
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