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Information card for entry 7039562
Preview
Coordinates | 7039562.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C67 H104 Co N6 O P3 Zr |
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Calculated formula | C67 H104 Co N6 O P3 Zr |
SMILES | [Zr]123456([Co]7([P]1(N3c1c(C)cc(C)cc1C)(C(C)C)C(C)C)([P]2(N4c1c(C)cc(C)cc1C)(C(C)C)C(C)C)([N]6=[N]7=C(c1ccccc1)c1ccccc1)C#[N]C(C)(C)C)[P](N5c1c(C)cc(C)cc1C)(C(C)C)C(C)C.O(CC)CC |
Title of publication | Multi-electron redox processes at a Zr(iv) center facilitated by an appended redox-active cobalt-containing metalloligand. |
Authors of publication | Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 27 |
Pages of publication | 11182 - 11190 |
a | 11.2422 ± 0.0002 Å |
b | 15.6852 ± 0.0003 Å |
c | 38.683 ± 0.0009 Å |
α | 90° |
β | 90.0071 ± 0.0014° |
γ | 90° |
Cell volume | 6821.2 ± 0.2 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0417 |
Residual factor for significantly intense reflections | 0.0318 |
Weighted residual factors for all reflections | 0.0809 |
Weighted residual factors for significantly intense reflections | 0.0702 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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