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Information card for entry 4514170
Preview
Coordinates | 4514170.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H30 Cl Co N4 O4 |
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Calculated formula | C34 H30 Cl Co N4 O4 |
SMILES | [Co]12([n]3ccccc3c3[n]1cccc3)([n]1ccccc1c1[n]2cccc1)(Cc1ccccc1)Cc1ccccc1.Cl(=O)(=O)(=O)[O-] |
Title of publication | Formation of Alkanes by Aerobic Carbon‒Carbon Bond Coupling Reactions Catalyzed by a Phosphovanadomolybdic Acid |
Authors of publication | Somekh, Miriam; Cohen, Hagai; Diskin-Posner, Yael; Shimon, Linda J. W.; Carmieli, Raanan; Rosenberg, Jeffrey N.; Neumann, Ronny |
Journal of publication | ACS Catalysis |
Year of publication | 2017 |
Pages of publication | 2725 |
a | 17.0978 ± 0.0005 Å |
b | 15.1411 ± 0.0005 Å |
c | 22.9374 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5938 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.0294 |
Weighted residual factors for significantly intense reflections | 0.073 |
Weighted residual factors for all reflections included in the refinement | 0.0801 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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