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Information card for entry 4070097
Preview
Coordinates | 4070097.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H31 I2 N2 P S2 Zr |
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Calculated formula | C32 H31 I2 N2 P S2 Zr |
SMILES | c12c(ccs2)N(c2c(cc(cc2C)C)C)[Zr]2(N(c3c([P]12c1ccccc1)scc3)c1c(cc(cc1C)C)C)(I)I |
Title of publication | Synthesis and Characterization of a New Thiophene-Bridged Diamidophosphine [NPN] Donor Set and Its Coordination Chemistry with Zirconium(IV): Unexpected Deprotonation−Lithiation Sequence with a Mesitylaminothiophene Precursor |
Authors of publication | Ménard, Gabriel; Jong, Howard; Fryzuk, Michael D. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 17 |
Pages of publication | 5253 |
a | 9.425 ± 0.005 Å |
b | 19.464 ± 0.005 Å |
c | 18.223 ± 0.005 Å |
α | 90 ± 0.005° |
β | 98.305 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 3308 ± 2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1121 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.0689 |
Weighted residual factors for all reflections included in the refinement | 0.0861 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
Diffraction radiation wavelength | 0.71069 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/4070097.html
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