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Information card for entry 7016441
Preview
Coordinates | 7016441.cif |
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Original paper (by DOI) | HTML |
Formula | C20.25 H34.875 Cl2 N3.125 Ni O5.75 |
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Calculated formula | C20.25 H30.125 Cl2 N3.125 Ni O5.75 |
Title of publication | Interaction of Co(ii), Ni(ii) and Cu(ii) with dibenzo-substituted macrocyclic ligands incorporating both symmetrically and unsymmetrically arranged N, O and S donors. |
Authors of publication | Vasilescu, I. M.; Baldwin, D. S.; Bourne, D. J.; Clegg, J. K.; Li, F.; Lindoy, L. F.; Meehan, G. V. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 34 |
Pages of publication | 8675 - 8684 |
a | 12.0787 ± 0.0008 Å |
b | 18.0874 ± 0.0013 Å |
c | 24.7617 ± 0.0018 Å |
α | 90° |
β | 100.238 ± 0.002° |
γ | 90° |
Cell volume | 5323.6 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.111 |
Residual factor for significantly intense reflections | 0.0778 |
Weighted residual factors for significantly intense reflections | 0.2317 |
Weighted residual factors for all reflections included in the refinement | 0.2631 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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