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Information card for entry 7011113
Preview
Coordinates | 7011113.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H44 Cu3 F12 N6 O9 P2 |
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Calculated formula | C19 H38 Cu3 F12 N6 O9 P2 |
SMILES | [Cu]12(OC3C(=[O]1)O[Cu]14[N]=3CCC[N]4=C3O[Cu]4([O]=C3O1)([N](CC[N]4(C)C)(C)C)[OH2])([N](CC[N]2(C)C)(C)C)[OH2].O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Synthesis, characterization, and magnetic properties of new complexes based on self-assembled homotrinuclear units CuII‒CuII‒CuII |
Authors of publication | Tercero, Javier; Diaz, Carmen; Ribas, Juan; Mahía, José; Maestro, Miguel; Solans, X. |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 9 |
Pages of publication | 2040 |
a | 10.2218 ± 0.0001 Å |
b | 13.182 Å |
c | 14.6361 ± 0.0001 Å |
α | 70.931 ± 0.001° |
β | 83.897 ± 0.001° |
γ | 87.761 ± 0.001° |
Cell volume | 1853.32 ± 0.03 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0754 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1425 |
Weighted residual factors for all reflections included in the refinement | 0.1542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7011113.html
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