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Information card for entry 4062569
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Coordinates | 4062569.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (dimethylsilyl)(dimethylfluorosilyl)niobocene hydrid |
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Chemical name | bis(cyclopentadienyl)(dimethylsilyl) (dimethylfluorosilyl)(hydrido) niobium (V) |
Formula | C14 H24 F Nb Si2 |
Calculated formula | C14 H23 F Nb Si2 |
Title of publication | Neutron and X-ray Diffraction Studies and DFT Calculations of Asymmetric Bis(silyl) Niobocene Hydrides |
Authors of publication | Dorogov, Konstantin Yu.; Dumont, Elise; Ho, Nam-Nhat; Churakov, Andrei V.; Kuzmina, Lyudmila G.; Poblet, Josep-Maria; Schultz, Arthur J.; Howard, Judith A. K.; Bau, Robert; Lledos, Agusti; Nikonov, Georgii I. |
Journal of publication | Organometallics |
Year of publication | 2004 |
Journal volume | 23 |
Journal issue | 12 |
Pages of publication | 2845 - 2847 |
a | 7.999 ± 0.0003 Å |
b | 23.0146 ± 0.0008 Å |
c | 8.709 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1603.27 ± 0.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0278 |
Residual factor for significantly intense reflections | 0.0262 |
Weighted residual factors for significantly intense reflections | 0.0643 |
Weighted residual factors for all reflections included in the refinement | 0.0653 |
Goodness-of-fit parameter for all reflections | 1.43 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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