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Information card for entry 7039481
Preview
Coordinates | 7039481.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H36 B F4 N6 Rh |
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Calculated formula | C31 H36 B F4 N6 Rh |
SMILES | [Rh]123456(c7c([n+](nn7c7c1cccc7)C)CCCc1c2[n+](nn1C)c1ccccc1)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.[B](F)(F)(F)[F-] |
Title of publication | Versatile bonding and coordination modes of ditriazolylidene ligands in rhodium(iii) and iridium(iii) complexes. |
Authors of publication | Farrell, Kevin; Müller-Bunz, Helge; Albrecht, Martin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 40 |
Pages of publication | 15859 - 15871 |
a | 15.4355 ± 0.0001 Å |
b | 16.3463 ± 0.0001 Å |
c | 23.5226 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5935.07 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0298 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0616 |
Weighted residual factors for all reflections included in the refinement | 0.065 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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