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Information card for entry 7004845
Preview
Coordinates | 7004845.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H28 B2 Br F4 N6 O W |
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Calculated formula | C20 H28 B2 Br F4 N6 O W |
SMILES | [W]123(Br)([n]4n(c(C)cc4C)[BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)(C#[O])[C](#[C]3C)C.[B](F)(F)(F)[F-] |
Title of publication | The d4/d3 redox pairs [MX(CO)(eta-RC[triple bond, length as m-dash]CR)Tp']z (z=0 and 1): structural consequences of electron transfer and implications for the inverse halide order. |
Authors of publication | Adams, Christopher J.; Bartlett, Ian M.; Carlton, Susannah; Connelly, Neil G.; Harding, David J.; Hayward, Owen D.; Orpen, A. Guy; Patron, Elena; Ray, Christopher D.; Rieger, Philip H. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 1 |
Pages of publication | 62 - 72 |
a | 8.1498 ± 0.0015 Å |
b | 11.8631 ± 0.0019 Å |
c | 13.4742 ± 0.0014 Å |
α | 89.028 ± 0.01° |
β | 85.677 ± 0.007° |
γ | 85.247 ± 0.011° |
Cell volume | 1294.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0375 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0571 |
Weighted residual factors for all reflections included in the refinement | 0.0583 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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