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Information card for entry 7006218
Preview
Coordinates | 7006218.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H22 Mo N4 O4 |
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Calculated formula | C22 H22 Mo N4 O4 |
SMILES | [Mo]1([n]2n(c(cc2C)C)C(n2[n]1c(cc2C)C)Cc1ccccc1)(C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Dendronized scorpionate complexes of molybdenum in low and high oxidation states. |
Authors of publication | Sánchez-Méndez, Alberto; Ortiz, Alba M.; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 48 |
Pages of publication | 5658 - 5669 |
a | 12.651 ± 0.005 Å |
b | 12.999 ± 0.005 Å |
c | 13.437 ± 0.005 Å |
α | 90° |
β | 96.271 ± 0.005° |
γ | 90° |
Cell volume | 2196.5 ± 1.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.054 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0814 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7006218.html
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