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Information card for entry 7706493
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Coordinates | 7706493.cif |
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Original paper (by DOI) | HTML |
Chemical name | (BDI)Re(μ-η5:η1-C5H4)(SiH[PhC(NtBu)2]) |
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Formula | C49 H69 N4 Re Si |
Calculated formula | C49 H69 N4 Re Si |
Title of publication | σ or π? Bonding interactions in a series of rhenium metallotetrylenes. |
Authors of publication | Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 6 |
Pages of publication | 2083 - 2092 |
a | 22.1653 ± 0.0008 Å |
b | 10.231 ± 0.0004 Å |
c | 19.6887 ± 0.0007 Å |
α | 90° |
β | 96.153 ± 0.001° |
γ | 90° |
Cell volume | 4439.1 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0227 |
Residual factor for significantly intense reflections | 0.0193 |
Weighted residual factors for significantly intense reflections | 0.0409 |
Weighted residual factors for all reflections included in the refinement | 0.0422 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.7288 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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