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Information card for entry 4088653
Preview
Coordinates | 4088653.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H56 Mn3 |
---|---|
Calculated formula | C36 H56 Mn3 |
SMILES | [Mn]123456789([Mn]%10%11%12([Mn]%13%14%15%16%17%18%19%20([C](=[CH2]%11%18)([CH]%19=[C]%20([CH2]%17%10)C(C)(C)C)C(C)(C)C)[cH]%10[cH]%13[cH]%14[cH]%15[cH]%16%10)[CH2]8=[C]1([CH]2=[C]3([CH2]%129)C(C)(C)C)C(C)(C)C)[cH]1[cH]4[cH]5[cH]6[cH]71 |
Title of publication | Closing the Gap: Preparation and Characterization of the First Half-Open and Open Manganocene Complexes |
Authors of publication | Reiners, Matthias; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D. |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 11 |
Pages of publication | 1986 |
a | 14.3756 ± 0.0002 Å |
b | 9.14393 ± 0.0001 Å |
c | 26.373 ± 0.0003 Å |
α | 90° |
β | 102.611 ± 0.002° |
γ | 90° |
Cell volume | 3383.08 ± 0.08 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0385 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0885 |
Weighted residual factors for all reflections included in the refinement | 0.09 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4088653.html
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Users of the data should acknowledge the original authors of the
structural data.