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Information card for entry 7000161
Preview
Coordinates | 7000161.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H36 Cl2 Fe N10 O8 |
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Calculated formula | C24 H36 Cl2 Fe N10 O8 |
SMILES | [Fe]123456[N](CCC[N]1=Cc1[n]2cc[n]1C)(CCC[N]3=Cc1[n]4cc[n]1C)CCC[N]5=Cc1[n]6cc[n]1C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | Synthesis and characterization of seven-coordinate tripodal imidazole complexes of iron(II) and manganese(II). |
Authors of publication | Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Schmiedekamp, Ann M.; Viragh, Carol |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 22 |
Pages of publication | 3617 - 3619 |
a | 11.5832 ± 0.0014 Å |
b | 12.1393 ± 0.0015 Å |
c | 12.3268 ± 0.0015 Å |
α | 80.843 ± 0.002° |
β | 71.329 ± 0.002° |
γ | 68.328 ± 0.002° |
Cell volume | 1524.4 ± 0.3 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.0509 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 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/7000161.html
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Users of the data should acknowledge the original authors of the
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