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Information card for entry 7016866
Preview
Coordinates | 7016866.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H54 N4 O6 P2 Zn2 |
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Calculated formula | C60 H54 N4 O6 P2 Zn2 |
SMILES | C1CC[N]2[Zn]34([N]1=Cc1cc(cc5C=[N]6CCC[N]7=Cc8cc(cc(C=2)c8[O]3[Zn]67([O]4c15)Oc1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1)C)C)Oc1cc(P(=O)(c2ccccc2)c2ccccc2)ccc1 |
Title of publication | Zn(ii) Robson macrocycles as templates for chelating diphosphines. |
Authors of publication | Ponsico, Sergio; Gulyas, Henrik; Martínez-Belmonte, Marta; Escudero-Adán, Eduardo C; Freixa, Zoraida; van Leeuwen, Piet W. N. M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10686 - 10697 |
a | 8.4567 ± 0.0003 Å |
b | 34.8441 ± 0.0009 Å |
c | 8.4433 ± 0.0002 Å |
α | 90° |
β | 97.919 ± 0.001° |
γ | 90° |
Cell volume | 2464.23 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0413 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.0967 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 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/7016866.html
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Users of the data should acknowledge the original authors of the
structural data.