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Information card for entry 7029774
Preview
Coordinates | 7029774.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H37 Cr F18 N9 P3 |
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Calculated formula | C43 H37 Cr F18 N9 P3 |
SMILES | [Cr]1234([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(cc1)C)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC |
Title of publication | The surprising lability of bis(2,2':6',2''-terpyridine)chromium(iii) complexes. |
Authors of publication | Constable, Edwin C; Housecroft, Catherine E; Neuburger, Markus; Schönle, Jonas; Zampese, Jennifer A |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 19 |
Pages of publication | 7227 - 7235 |
a | 14.8008 ± 0.001 Å |
b | 16.102 ± 0.001 Å |
c | 21.0282 ± 0.0014 Å |
α | 90° |
β | 106.033 ± 0.005° |
γ | 90° |
Cell volume | 4816.6 ± 0.6 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0509 |
Residual factor for significantly intense reflections | 0.0384 |
Weighted residual factors for all reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.0389 |
Weighted residual factors for all reflections included in the refinement | 0.035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0984 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.