Resolving disorder
The original paper describing this compound (Inorg.Chem. (1998), 37, 5781) did not report any disorder in the structure, but some of the distances in one of the 1,2-bis(4-pyridyl)ethylene ligands were outside of the expected values (reported R-factor: 7.14%). A careful (but under 4-hour) study on Rigaku's SCXmini provided a data set that clearly indicated the disorder shown in the figure. The major and minor orientations are in an approximate 80:20 ratio.
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Detailed information: |
[ download CIF ] |
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Compound: |
Tetra-aqua-bis(1,2-bis(4-pyridyl)ethylene)-cobalt(II) dinitrate 1,2-bis(4-pyridyl)ethylene solvate hydrate |
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Source: |
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Formula |
C32H40CoN7.33O12.67 |
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Formula weight: |
788.98 |
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Space group: |
P1 |
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Unit cell: |
a=9.656(2) Å |
α=87.333(10)° Z=3 (Z'=1.5) |
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Radiation: |
Mo-Kα |
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R1 |
0.0479 |
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wR2: |
0.1222 |
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GooF = S: |
1.133 |
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Data collection temperature: |
293(2) K |
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Detector: |
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