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Information card for entry 7005598
Preview
Coordinates | 7005598.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41.33 H42 B0.67 F6.67 N8 O18 Pd S1.33 |
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Calculated formula | C41.3333 H32 B0.666667 F6.66667 N8 O18 Pd S1.33333 |
SMILES | [Pd]([n]1ccc(cc1)c1ccn(=O)cc1)([n]1ccc(cc1)c1ccn(=O)cc1)([n]1ccc(cc1)c1ccn(=O)cc1)[n]1ccc(cc1)c1ccn(=O)cc1.[Pd]([n]1ccc(cc1)c1cc[n+]([O-])cc1)([n]1ccc(cc1)c1cc[n+]([O-])cc1)([n]1ccc(cc1)c1cc[n+]([O-])cc1)[n]1ccc(cc1)c1cc[n+]([O-])cc1.[Pd]([n]1ccc(cc1)c1cc[n+]([O-])cc1)([n]1ccc(cc1)c1cc[n+]([O-])cc1)([n]1ccc(cc1)c1cc[n+]([O-])cc1)[n]1ccc(cc1)c1cc[n+]([O-])cc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | 4,4'-Bipyridine-N-monoxide. A hybrid ligand for building networks using a combination of metal-ligand and hydrogen-bonding interactions. |
Authors of publication | Hoffart, Dennis J.; Habermehl, Nicolle C.; Loeb, Stephen J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 27 |
Pages of publication | 2870 - 2875 |
a | 20.624 ± 0.0018 Å |
b | 21.3105 ± 0.0019 Å |
c | 22.366 ± 0.002 Å |
α | 63.191 ± 0.002° |
β | 64.445 ± 0.002° |
γ | 82.821 ± 0.002° |
Cell volume | 7885.5 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.104 |
Residual factor for significantly intense reflections | 0.0797 |
Weighted residual factors for significantly intense reflections | 0.2219 |
Weighted residual factors for all reflections included in the refinement | 0.2481 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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