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Information card for entry 4084992
Preview
Coordinates | 4084992.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H9 Na O4 |
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Calculated formula | C9 H9 Na O4 |
SMILES | c1(C(=O)OC)c(c[cH-]c1)C(=O)OC.[Na+] |
Title of publication | Cyclopentadienyl Chemistry in Water: Synthesis and Properties of Bifunctionalized [(η5-C5H3{COOR}2)M(CO)3] (M = Re and99mTc) Complexes |
Authors of publication | Ursillo, Samer; Can, Daniel; N’Dongo, Harmel W. Peindy; Schmutz, Paul; Spingler, Bernhard; Alberto, Roger |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 23 |
Pages of publication | 6945 |
a | 5.83673 ± 0.00013 Å |
b | 13.6727 ± 0.0004 Å |
c | 12.0331 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 960.29 ± 0.05 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0457 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.1002 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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