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Information card for entry 7017310
Preview
Coordinates | 7017310.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H100 Br6 Co3 N8 O10 |
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Calculated formula | C56 H88 Br6 Co3 N8 O10 |
SMILES | c1cc(cc[n]1[Co](Br)(Br)Br)C(=O)N(CC(C)C)CC(C)C.[n]1(ccc(cc1)C(=O)N(CC(C)C)CC(C)C)[Co]([OH2])([OH2])([n]1ccc(cc1)C(=O)N(CC(C)C)CC(C)C)([OH2])[OH2].O.c1cc(cc[n]1[Co](Br)(Br)Br)C(=O)N(CC(C)C)CC(C)C.O |
Title of publication | Magneto-structural studies of two new cobalt(ii)-N,N-diisobutylisonicotinamide compounds: [CoLCl(2)](n) and [Co(L)(2)(H(2)O)(4)][CoLBr(3)](2)·2H(2)O. |
Authors of publication | Singh Pannu, Ajay Pal; Kapoor, Pratibha; Hundal, Geeta; Kapoor, Ramesh; Corbella, Montserrat; Aliaga-Alcalde, Núria; Singh Hundal, Maninder |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 46 |
Pages of publication | 12560 - 12569 |
a | 9.8031 ± 0.0003 Å |
b | 11.8076 ± 0.0005 Å |
c | 15.7629 ± 0.0007 Å |
α | 92.503 ± 0.004° |
β | 91.003 ± 0.003° |
γ | 91.025 ± 0.003° |
Cell volume | 1822.23 ± 0.13 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1531 |
Residual factor for significantly intense reflections | 0.1057 |
Weighted residual factors for significantly intense reflections | 0.3458 |
Weighted residual factors for all reflections included in the refinement | 0.3707 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.332 |
Diffraction radiation wavelength | 0.7107 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/7017310.html
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Users of the data should acknowledge the original authors of the
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