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Information card for entry 7016568
Preview
Coordinates | 7016568.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H29 Cl F6 N5 Ni P |
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Calculated formula | C27 H29 Cl F6 N5 Ni P |
SMILES | [Ni]12([n]3c(N4C=1N(CCCC)c1c4cccc1)cccc3N1C=2N(CCCC)c2c1cccc2)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Nickel complexes of a bis(benzimidazolin-2-ylidene)pyridine pincer ligand with four- and five-coordinate geometries. |
Authors of publication | Brown, David H.; Skelton, Brian W. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 35 |
Pages of publication | 8849 - 8858 |
a | 8.8351 ± 0.0005 Å |
b | 9.5675 ± 0.0005 Å |
c | 15.9437 ± 0.001 Å |
α | 83.742 ± 0.005° |
β | 87.414 ± 0.005° |
γ | 82.567 ± 0.005° |
Cell volume | 1327.77 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1031 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.0777 |
Weighted residual factors for all reflections included in the refinement | 0.0866 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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