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Information card for entry 7017163
Preview
Coordinates | 7017163.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Cl2 Mn N6 O8 |
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Calculated formula | C24 H24 Cl2 Mn N6 O8 |
SMILES | c1cc2[n]3[Mn]456([NH](C2)CC[NH]6Cc2cccc(c6cccc[n]46)[n]52)[n]2ccccc2c3c1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | Factors influencing mononuclear versus multinuclear coordination in a series of potentially hexadentate acyclic N(6) ligands: the roles of flexibility and chelate ring size. |
Authors of publication | Hall, Nikita A.; Duboc, Carole; Collomb, Marie-Noëlle; Deronzier, Alain; Blackman, Allan G. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12075 - 12082 |
a | 18.217 ± 0.008 Å |
b | 8.519 ± 0.004 Å |
c | 17.009 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2640 ± 2 Å3 |
Cell temperature | 89 ± 2 K |
Ambient diffraction temperature | 89 ± 2 K |
Number of distinct elements | 6 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0476 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1039 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 0.71069 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/7017163.html
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