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Information card for entry 4107802
Preview
Coordinates | 4107802.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H7 Br Co2 O6 |
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Calculated formula | C18 H7 Br Co2 O6 |
SMILES | Brc1cc2c([C]34=[C]5([Co]3([Co]45(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])C=C2C=C)cc1 |
Title of publication | Synthesis, Structure, and Reactivity of Naphthalyne-Co2(CO)6 Complexes |
Authors of publication | Nobuharu Iwasawa; Maiko Otsuka; Satomi Yamashita; Masao Aoki; Jun Takaya |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6328 - 6329 |
a | 15.931 ± 0.005 Å |
b | 7.498 ± 0.003 Å |
c | 16.677 ± 0.006 Å |
α | 90° |
β | 110.193 ± 0.013° |
γ | 90° |
Cell volume | 1869.6 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0366 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.07 |
Weighted residual factors for all reflections included in the refinement | 0.0733 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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