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Information card for entry 1559859
Preview
Coordinates | 1559859.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H48 B2 N2 Ni O2 P2 |
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Calculated formula | C30 H48 B2 N2 Ni O2 P2 |
SMILES | [Ni]12([P](CN3c4ccccc4N(B23)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)B1Oc2ccccc2O1 |
Title of publication | Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>. |
Authors of publication | Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 7 |
Pages of publication | 2540 - 2548 |
a | 22.532 ± 0.002 Å |
b | 11.3598 ± 0.0009 Å |
c | 26.302 ± 0.002 Å |
α | 90° |
β | 104.066 ± 0.004° |
γ | 90° |
Cell volume | 6530.4 ± 0.9 Å3 |
Cell temperature | 193 K |
Ambient diffraction temperature | 193 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.065 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.0807 |
Weighted residual factors for all reflections included in the refinement | 0.0961 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1559859.html
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