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Information card for entry 4089078
Preview
Coordinates | 4089078.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41.5 H65 I6 O2 Sm3 |
---|---|
Calculated formula | C41.5 H65 I6 O2 Sm3 |
SMILES | [Sm]1234567([I][Sm]89%10%11%12%13([I][Sm]%14%15%16%17([I]1)([I]28)([I]39)(I)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)([O]1CCCC1)[c]1([c]%10([c]%11([c]%12([c]%131C)C)C)C)C)([O]1CCCC1)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C.c1(ccccc1)C |
Title of publication | Donor-Solvent-Dependent Cluster Formation of (C5Me5)SmI2(THF)x-Type Half-Sandwich Complexes |
Authors of publication | Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 21 |
Pages of publication | 3743 |
a | 20.1017 ± 0.0014 Å |
b | 25.3863 ± 0.0017 Å |
c | 25.8617 ± 0.0018 Å |
α | 90° |
β | 106.072 ± 0.001° |
γ | 90° |
Cell volume | 12681.6 ± 1.5 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1072 |
Residual factor for significantly intense reflections | 0.0986 |
Weighted residual factors for significantly intense reflections | 0.2193 |
Weighted residual factors for all reflections included in the refinement | 0.2232 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
Diffraction radiation wavelength | 0.71073 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/4089078.html
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Users of the data should acknowledge the original authors of the
structural data.