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Information card for entry 4327700
Preview
Coordinates | 4327700.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [(Me4taa)Zr(mu-NBu-t)2Zr(NHBu-t)2] . C7H8 |
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Formula | C45 H68 N8 Zr2 |
Calculated formula | C45 H68 N8 Zr2 |
SMILES | C(C)(C)(C)N([Zr]1234[N]5=C(C)C=C(N4c4c(N3C(=CC(=[N]1c3c5cccc3)C)C)cccc4)C)[Zr](NC(C)(C)C)(N2C(C)(C)C)NC(C)(C)C.c1(ccccc1)C |
Title of publication | Mononuclear Amido and Binuclear Imido Zirconium Complexes Supported by Dibenzotetraaza[14]annulene Ligands. X-ray Structure of [(Me4taa)Zr(μ-NR)2Zr(NHR)2] (R = Butor 2,6-C6H3Me2) |
Authors of publication | Georgii I. Nikonov; Alexander J. Blake; Philip Mountford |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 1107 - 1112 |
a | 19.286 ± 0.007 Å |
b | 12.662 ± 0.006 Å |
c | 18.26 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4459 ± 3 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.0434 |
Goodness-of-fit parameter for significantly intense reflections | 0.9519 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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