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Information card for entry 7036866
Preview
Coordinates | 7036866.cif |
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Original paper (by DOI) | HTML |
Formula | C68 H77 Ba N4 O5 |
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Calculated formula | C68 H77 Ba N4 O5 |
SMILES | [Ba]12(n3c(ccc3)C=[N]1C(c1ccccc1)(c1ccccc1)c1ccccc1)(n1cccc1C=[N]2C(c1ccccc1)(c1ccccc1)c1ccccc1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.O1CCCC1 |
Title of publication | Group 1 and group 2 metal complexes supported by a bidentate bulky iminopyrrolyl ligand: synthesis, structural diversity, and ε-caprolactone polymerization study. |
Authors of publication | Kottalanka, Ravi K.; Harinath, A.; Rej, Supriya; Panda, Tarun K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 46 |
Pages of publication | 19865 - 19879 |
a | 10.7818 ± 0.0011 Å |
b | 14.4888 ± 0.0015 Å |
c | 21.2076 ± 0.0019 Å |
α | 109.626 ± 0.009° |
β | 93.344 ± 0.008° |
γ | 106.825 ± 0.009° |
Cell volume | 2942.1 ± 0.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0874 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.167 |
Weighted residual factors for all reflections included in the refinement | 0.2011 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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