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Information card for entry 7031311
Preview
Coordinates | 7031311.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H35 Ce N2 O2 |
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Calculated formula | C24 H35 Ce N2 O2 |
SMILES | [Ce]123456789(OC(CN%10C=1N(C=C%10)C(C)C)(C)C)([O]1CCCC1)([cH]1[cH]9[cH]2[cH]3[cH]41)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds. |
Authors of publication | Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 38 |
Pages of publication | 14346 - 14358 |
a | 10.3917 ± 0.0011 Å |
b | 16.4222 ± 0.0004 Å |
c | 15.567 ± 0.003 Å |
α | 90° |
β | 108.53 ± 0.02° |
γ | 90° |
Cell volume | 2518.9 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0408 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0823 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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