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Information card for entry 7039479
Preview
Coordinates | 7039479.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H44 Cl2 I N12 Rh |
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Calculated formula | C42 H42 I N12 Rh |
SMILES | [Rh]1234(c5n(c6c1cccc6)n[n+](C)c5CCCc1c2[n+](nn1C)c1ccccc1)c1n(c2c3cccc2)n[n+](C)c1CCCc1c4[n+](nn1C)c1ccccc1.[I-] |
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 | 19.4324 ± 0.0003 Å |
b | 11.1984 ± 0.0002 Å |
c | 20.9143 ± 0.0003 Å |
α | 90° |
β | 107.72 ± 0.002° |
γ | 90° |
Cell volume | 4335.27 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0547 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1289 |
Weighted residual factors for all reflections included in the refinement | 0.1336 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039479.html
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