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Information card for entry 4313855
Preview
Coordinates | 4313855.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H36 Mn Na O5 P2 |
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Calculated formula | C25 H36 Mn Na O5 P2 |
SMILES | c1c(c(cc2[p]1[Mn](C#[O])(C#[O])(C#[O])[p]1cc(c(C)cc21)C)C)C.[Na]([O](CC)CC)[O](CC)CC |
Title of publication | Electronic Properties of 4,4',5,5'-Tetramethyl-2,2'-biphosphinine (tmbp) in the Redox Series fac-[Mn(Br)(CO)3(tmbp)], [Mn(CO)3(tmbp)]2, and [Mn(CO)3(tmbp)]-: Crystallographic, Spectroelectrochemical, and DFT Computational Study |
Authors of publication | František Hartl; Taasje Mahabiersing; Pascal Le Floch; Francois Mathey; Louis Ricard; Patrick Rosa; Stanislav Záliš |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 4442 - 4455 |
a | 9.024 ± 0.005 Å |
b | 10.13 ± 0.005 Å |
c | 15.833 ± 0.005 Å |
α | 96.83 ± 0.005° |
β | 90.14 ± 0.005° |
γ | 103.77 ± 0.005° |
Cell volume | 1395.1 ± 1.1 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0749 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1293 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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