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Information card for entry 4082541
Preview
Coordinates | 4082541.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C88 H86 Br2 Cl8 N2 O4 P2 Pd2 |
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Calculated formula | C88 H86 Br2 Cl8 N2 O4 P2 Pd2 |
Title of publication | Reactivity toward Neutral N- and P-Donor Ligands of Eight-Membered Palladacycles Arising from Monoinsertion of Alkynes into the Pd‒C Bond of Orthopalladated Homoveratrylamine and Phentermine. A New Example of the Transphobia Effect |
Authors of publication | Oliva-Madrid, María-José; García-López, José-Antonio; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 1 |
Pages of publication | 33 |
a | 17.7668 ± 0.0011 Å |
b | 17.2559 ± 0.0011 Å |
c | 15.062 ± 0.0008 Å |
α | 90° |
β | 113.482 ± 0.002° |
γ | 90° |
Cell volume | 4235.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0705 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1174 |
Weighted residual factors for all reflections included in the refinement | 0.1288 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | highbrilliancemicrofocussealedtubeMoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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