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Information card for entry 7710800
Preview
Coordinates | 7710800.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H48 N Nb |
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Calculated formula | C48 H48 N Nb |
SMILES | [NbH]12345678(=Nc9c(cccc9C)C)([c]9([cH]1[cH]2[cH]3[cH]49)C(c1ccc(cc1)C)c1ccc(cc1)C)[c]1([cH]8[cH]7[cH]6[cH]51)C(c1ccc(cc1)C)c1ccc(cc1)C |
Title of publication | A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways |
Authors of publication | de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger |
Journal of publication | Dalton Transactions |
Year of publication | 2022 |
a | 12.2019 ± 0.0003 Å |
b | 12.2626 ± 0.0003 Å |
c | 14.31 ± 0.0004 Å |
α | 80.0722 ± 0.0018° |
β | 88.089 ± 0.002° |
γ | 63.2622 ± 0.0018° |
Cell volume | 1881.2 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0386 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7710800.html
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