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Information card for entry 4089081
Preview
Coordinates | 4089081.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H83 I9 Sm5 |
---|---|
Calculated formula | C57 H83 I9 Sm5 |
SMILES | [Sm]12345678([I]9%10%11[Sm]%12%13%14%15%16%17%18([I]%19[Sm]%20%21%22%239([I][Sm]9%24%25%26%10%19([I]1)([I]3%13)[c]1([c]%26([c]%25([c]%24([c]91C)C)C)C)C)([I]%14)([I][Sm]139%10%11([I]2%12)([I]4)[c]2([c]1([c]3([c]9([c]%102C)C)C)C)C)[c]1([c]%20([c]%21([c]%22([c]%231C)C)C)C)C)[c]1([c]%15([c]%16([c]%17([c]%181C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)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 | 15.1794 ± 0.0007 Å |
b | 20.7868 ± 0.0009 Å |
c | 24.9829 ± 0.0011 Å |
α | 90° |
β | 98.642 ± 0.001° |
γ | 90° |
Cell volume | 7793.4 ± 0.6 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0818 |
Residual factor for significantly intense reflections | 0.072 |
Weighted residual factors for significantly intense reflections | 0.1689 |
Weighted residual factors for all reflections included in the refinement | 0.1749 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/4089081.html
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Users of the data should acknowledge the original authors of the
structural data.