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Information card for entry 7706490
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Coordinates | 7706490.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Re(Si[PhC(NtBu)2])(η5-Cp)(BDI) |
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Formula | C54 H81 N4 Re Si |
Calculated formula | C54 H81 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 | 9.3802 ± 0.0003 Å |
b | 12.9055 ± 0.0004 Å |
c | 21.1791 ± 0.0005 Å |
α | 96.261 ± 0.002° |
β | 92.718 ± 0.002° |
γ | 102.594 ± 0.003° |
Cell volume | 2480.54 ± 0.13 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0398 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0784 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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