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Information card for entry 7029175
Preview
Coordinates | 7029175.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bis(1,4,7-trimethyl-1-azonia-4,7-diazacyclononane) pentachlorooxidoniobate(V) |
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Formula | C18 H44 Cl5 N6 Nb O |
Calculated formula | C18 H44 Cl5 N6 Nb O |
SMILES | [Nb](Cl)(Cl)(Cl)(Cl)(Cl)=O.N1(C)CC[NH+](C)CCN(C)CC1.N1(C)CCN(C)CC[NH+](C)CC1 |
Title of publication | Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues. |
Authors of publication | Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 9 |
Pages of publication | 3649 - 3659 |
a | 9.9479 ± 0.0015 Å |
b | 16.788 ± 0.002 Å |
c | 16.968 ± 0.003 Å |
α | 90° |
β | 95.576 ± 0.003° |
γ | 90° |
Cell volume | 2820.3 ± 0.7 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 | 0.0489 |
Residual factor for significantly intense reflections | 0.037 |
Weighted residual factors for significantly intense reflections | 0.0701 |
Weighted residual factors for all reflections included in the refinement | 0.0739 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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