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Information card for entry 7014598
Preview
Coordinates | 7014598.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H34 N2 O5 Rh |
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Calculated formula | C31 H34 N2 O5 Rh |
SMILES | [Rh]123(Oc4c(C[N]2(Cc2cc(cc(c2O1)C)C)Cc1[n]3cccc1)cc(cc4C)C)(OC)c1ccccc1.O.O |
Title of publication | Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands. |
Authors of publication | Liu, Xiang Y.; Lokare, Kapil S.; Ganesh, Somesh K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, 3rd, William A; Periana, Roy A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 1 |
Pages of publication | 301 - 304 |
a | 10.3395 ± 0.0014 Å |
b | 14.753 ± 0.002 Å |
c | 23.961 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3655 ± 0.8 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1005 |
Residual factor for significantly intense reflections | 0.069 |
Weighted residual factors for significantly intense reflections | 0.2131 |
Weighted residual factors for all reflections included in the refinement | 0.2348 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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