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Information card for entry 7000081
Preview
Coordinates | 7000081.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H32 F6 N3 Ni O2 P |
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Calculated formula | C20 H32 F6 N3 Ni O2 P |
SMILES | [Ni]123([N]4=C(CC([NH]1CCC[N]2(CCC4)C)(C)C)C)OC(c1ccccc1)=[O]3.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Five-coordinate nickel(II) complexes with carboxylate anions and derivatives of 1,5,9-triazacyclododec-1-ene: structural and 1H NMR spectroscopic studies. |
Authors of publication | Santana, M. Dolores; Lozano, A. Abel; Garcia, Gabriel; Lopez, Gregorio; Perez, Jose |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2005 |
Journal issue | 1 |
Pages of publication | 104 - 109 |
a | 8.2367 ± 0.0006 Å |
b | 15.3163 ± 0.0012 Å |
c | 18.7672 ± 0.0014 Å |
α | 90° |
β | 91.229 ± 0.001° |
γ | 90° |
Cell volume | 2367 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0733 |
Residual factor for significantly intense reflections | 0.0703 |
Weighted residual factors for significantly intense reflections | 0.1743 |
Weighted residual factors for all reflections included in the refinement | 0.1766 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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