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Information card for entry 4324570
Preview
Coordinates | 4324570.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H44 B Co N8 S4 |
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Calculated formula | C32 H44 B Co N8 S4 |
SMILES | [Co]1234([S]=c5n(nc(cc5)C(C)(C)C)[B]4(n4nc(ccc4=[S]1)C(C)(C)C)n1nc(ccc1=[S]2)C(C)(C)C)Sc1[n]3nc(cc1)C(C)(C)C |
Title of publication | Novel Pyridazine Based Scorpionate Ligands in Cobalt and Nickel Boratrane Compounds |
Authors of publication | Gernot Nuss; Gerald Saischek; Manuel Volpe; Karl Gatterer; Ferdinand Belaj; Nadia C. Mösch-Zanetti |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 1991 - 2001 |
a | 15.5146 ± 0.0005 Å |
b | 23.9519 ± 0.0008 Å |
c | 9.9032 ± 0.0003 Å |
α | 90° |
β | 105.385 ± 0.001° |
γ | 90° |
Cell volume | 3548.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.043 |
Residual factor for significantly intense reflections | 0.0316 |
Weighted residual factors for significantly intense reflections | 0.0736 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4324570.html
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Users of the data should acknowledge the original authors of the
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