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Information card for entry 7040066
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Coordinates | 7040066.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (BDI)CpClNb(NtBu) |
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Formula | C38 H55 Cl N3 Nb |
Calculated formula | C38 H55 Cl N3 Nb |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Nb]2345(=NC(C)(C)C)(N(c1c(cccc1C(C)C)C(C)C)/C(=C/C(=N/c1c(cccc1C(C)C)C(C)C)C)C)Cl |
Title of publication | Unusual κ1 coordination of a β-diketiminate ligand in niobium complexes. |
Authors of publication | Ziegler, Jessica A.; Bergman, Robert G.; Arnold, John |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 32 |
Pages of publication | 12661 - 12668 |
a | 17.812 ± 0.005 Å |
b | 17.474 ± 0.005 Å |
c | 23.717 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7382 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0448 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7040066.html
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