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Information card for entry 4077446
Preview
Coordinates | 4077446.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H10 B F15 Nb |
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Calculated formula | C28 H10 B F15 Nb |
SMILES | [Nb]123456789%10([cH]%11[cH]4[cH]3[cH]2[cH]1%11)([cH]1[cH]5[cH]6[cH]7[c]81[B]%10([H]9)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Formation of Triniobocene Cationic and Neutral Mononiobocene Species as a Function of Solvent in the Reaction of Cp2Nb{(μ-H)2BR2} (R2= C4H8, C5H10, C8H14) with B(C6F5)3 |
Authors of publication | Liu, Shengming; Liu, Fu-Chen; Renkes, Gordon; Shore, Sheldon G. |
Journal of publication | Organometallics |
Year of publication | 2001 |
Journal volume | 20 |
Journal issue | 26 |
Pages of publication | 5717 |
a | 15.5363 ± 0.001 Å |
b | 16.0828 ± 0.001 Å |
c | 19.6394 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4907.2 ± 0.5 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 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 | 0.0379 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0641 |
Weighted residual factors for all reflections included in the refinement | 0.0683 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4077446.html
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Users of the data should acknowledge the original authors of the
structural data.