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Information card for entry 7030763
Preview
Coordinates | 7030763.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H52 Cl4 Co2 N12 O18 |
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Calculated formula | C40 H52 Cl4 Co2 N12 O18 |
SMILES | C1CC[NH]2CCC[N]3=Cc4[n](cccc4)[Co]423([N]1=Cc1cccc[n]41)OO[Co]1234[n]5ccccc5C=[N]1CCC[NH]2CCC[N]3=Cc1[n]4cccc1.N#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.N#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | Exclusive selectivity of multidentate ligands independent on the oxidation state of cobalt: influence of steric hindrance on dioxygen binding and phenoxazinone synthase activity. |
Authors of publication | Panja, Anangamohan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 21 |
Pages of publication | 7760 - 7770 |
a | 10.5833 ± 0.0005 Å |
b | 10.7937 ± 0.0005 Å |
c | 12.7878 ± 0.0006 Å |
α | 82.279 ± 0.003° |
β | 71.692 ± 0.003° |
γ | 64.544 ± 0.003° |
Cell volume | 1252.2 ± 0.11 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 | 0.1183 |
Residual factor for significantly intense reflections | 0.0945 |
Weighted residual factors for significantly intense reflections | 0.213 |
Weighted residual factors for all reflections included in the refinement | 0.2426 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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