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Information card for entry 7038923
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Coordinates | 7038923.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H54 B2 F48 N2 O4 Se2 Sr |
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Calculated formula | C80 H54 B2 F48 N2 O4 Se2 Sr |
Title of publication | Complexes of Group 2 dications with soft thioether- and selenoether-containing macrocycles. |
Authors of publication | Levason, William; Pugh, David; Purkis, Jamie M.; Reid, Gillian |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 18 |
Pages of publication | 7900 - 7911 |
a | 13.1806 ± 0.0018 Å |
b | 13.588 ± 0.002 Å |
c | 13.9654 ± 0.0017 Å |
α | 77.134 ± 0.006° |
β | 63.202 ± 0.005° |
γ | 87.516 ± 0.007° |
Cell volume | 2171.8 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0811 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.1504 |
Weighted residual factors for all reflections included in the refinement | 0.1686 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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