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Information card for entry 7012066
Preview
Coordinates | 7012066.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H62 B Cl Cr N8 |
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Calculated formula | C36 H62 B Cl Cr N8 |
SMILES | [Cr]12(Cl)([n]3n(c(cc3C(C)C)C(C)C)[BH](n3[n]1c(C(C)C)cc3C(C)C)n1[n]2c(C(C)C)cc1C(C)C)[n]1[nH]c(cc1C(C)C)C(C)C |
Title of publication | Di- and tri-valent chlorochromium complexes bearing hydrotris(3,5-diisopropylpyrazolyl)borato ligand (TpiPr2), TpiPr2CrCln(L) (n = 1, 2) and [TpiPr2Cr(μ-Cl)]2: flexible coordination behavior of the TpiPr2 ligand and reduction features of Cr(ii) species |
Authors of publication | Sugawara, Ken-ichiro; Hikichi, Shiro; Akita, Munetaka |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 2002 |
Journal issue | 23 |
Pages of publication | 4514 |
a | 13.4411 ± 0.0005 Å |
b | 17.0438 ± 0.0005 Å |
c | 17.3368 ± 0.0005 Å |
α | 90° |
β | 92.584 ± 0.003° |
γ | 90° |
Cell volume | 3967.6 ± 0.2 Å3 |
Cell temperature | 213 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 significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.1794 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.704 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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