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Information card for entry 4313641
Preview
Coordinates | 4313641.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H100 B2 I4 N12 U2 |
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Calculated formula | C62 H100 B2 I4 N12 U2 |
SMILES | [n]12[U]3([n]4c(cc([nH]4)C(C)(C)C)C)([I][U]4([I]3)(I)([n]3c(cc(n3[BH2]n3[n]4c(cc3C)C(C)(C)C)C)C(C)(C)C)[n]3c(cc([nH]3)C(C)(C)C)C)(I)[n]3c(cc(n3[BH2]n2c(cc1C(C)(C)C)C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)C |
Title of publication | Synthesis and Structural Characterization of Unprecedented Bis-Asymmetric Heteroscorpionate U(III) Complexes: [U{κ3-H2B(pztBu,Me)(pzMe,tBu)}2I] and [U{κ3-H2B(pztBu,Me)(pzMe2)}2I] |
Authors of publication | Leonor Maria; Ângela Domingos; Isabel Santos |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 3323 - 3330 |
a | 11.05 ± 0.001 Å |
b | 20.46 ± 0.004 Å |
c | 17.361 ± 0.002 Å |
α | 90° |
β | 93.42 ± 0.01° |
γ | 90° |
Cell volume | 3918 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.2296 |
Residual factor for significantly intense reflections | 0.0988 |
Weighted residual factors for all reflections | 0.3069 |
Weighted residual factors for significantly intense reflections | 0.1834 |
Goodness-of-fit parameter for all reflections | 1.073 |
Goodness-of-fit parameter for significantly intense reflections | 1.175 |
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/4313641.html
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