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Information card for entry 4079348
Preview
Coordinates | 4079348.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H7 Mn N2 O3 |
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Calculated formula | C10 H7 Mn N2 O3 |
SMILES | [Mn]1234(C#[O])(C#[O])(C#[O])[c]5([cH]1[cH]2[cH]3[cH]45)C(C#N)N |
Title of publication | Cyclopentadienyl-Based Amino Acids (Cp-aa) As Phenylalanine Analogues for Tumor Targeting: Syntheses and Biological Properties of [(Cp-aa)M(CO)3](M = Mn, Re,99mTc) |
Authors of publication | Sulieman, Samer; Can, Daniel; Mertens, John; N’Dongo, Harmel W. Peindy; Liu, Yu; Schmutz, Paul; Bauwens, Matthias; Spingler, Bernhard; Alberto, Roger |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 19 |
Pages of publication | 6880 |
a | 12.9331 ± 0.0003 Å |
b | 6.3626 ± 0.0001 Å |
c | 12.5315 ± 0.0002 Å |
α | 90° |
β | 93.4788 ± 0.0019° |
γ | 90° |
Cell volume | 1029.29 ± 0.03 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 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 | 0.0413 |
Residual factor for significantly intense reflections | 0.0291 |
Weighted residual factors for significantly intense reflections | 0.068 |
Weighted residual factors for all reflections included in the refinement | 0.0705 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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