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Information card for entry 7039897
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Coordinates | 7039897.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [MnBr(CO)3(QTAm)] |
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Formula | C20 H19 Br Mn N5 O3 |
Calculated formula | C20 H19 Br Mn N5 O3 |
SMILES | Br[Mn]1([N](C23CN4CN(C3)CN(C2)C4)=Cc2[n]1c1c(cccc1)cc2)(C#[O])(C#[O])C#[O] |
Title of publication | Light-triggered CO delivery by a water-soluble and biocompatible manganese photoCORM. |
Authors of publication | Jimenez, Jorge; Chakraborty, Indranil; Carrington, Samantha J.; Mascharak, Pradip K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 33 |
Pages of publication | 13204 - 13213 |
a | 8.788 ± 0.005 Å |
b | 10.438 ± 0.005 Å |
c | 12.643 ± 0.003 Å |
α | 104.88 ± 0.02° |
β | 105.15 ± 0.03° |
γ | 103.47 ± 0.06° |
Cell volume | 1024.4 ± 0.9 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 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 | 0.0716 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1377 |
Weighted residual factors for all reflections included in the refinement | 0.155 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.895 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7039897.html
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