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Information card for entry 7017190
Preview
Coordinates | 7017190.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H53 B2 F8 N11 Zn2 |
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Calculated formula | C51 H53 B2 F8 N11 Zn2 |
SMILES | [Zn]123(N4c5ccccc5C=[N]1CC[NH]2CC[N]3=Cc1ccccc41)[n]1ccccc1.[B](F)(F)(F)[F-].n1ccccc1 |
Title of publication | Synthesis and complexes of an N(4) Schiff-base macrocycle derived from 2,2'-iminobisbenzaldehyde. |
Authors of publication | Sanyal, Rajni; Cameron, Scott A.; Brooker, Sally |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12277 - 12287 |
a | 10.3702 ± 0.0016 Å |
b | 10.6201 ± 0.0018 Å |
c | 12.6948 ± 0.0019 Å |
α | 96.434 ± 0.008° |
β | 98.583 ± 0.008° |
γ | 116.065 ± 0.007° |
Cell volume | 1216.8 ± 0.3 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1156 |
Residual factor for significantly intense reflections | 0.0819 |
Weighted residual factors for significantly intense reflections | 0.2008 |
Weighted residual factors for all reflections included in the refinement | 0.2265 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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