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Information card for entry 7243153
Preview
Coordinates | 7243153.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H54 F6 Fe N O8 P0.484 Sb0.516 |
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Calculated formula | C43 H54 F6 Fe N O8 P0.48436 Sb0.51564 |
Title of publication | Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether |
Authors of publication | Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 34 |
Pages of publication | 5944 - 5952 |
a | 10.139 ± 0.0018 Å |
b | 11.679 ± 0.002 Å |
c | 17.971 ± 0.003 Å |
α | 85.655 ± 0.004° |
β | 87.434 ± 0.004° |
γ | 88.542 ± 0.005° |
Cell volume | 2119.2 ± 0.6 Å3 |
Cell temperature | 113.35 K |
Ambient diffraction temperature | 113.35 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 | 0.0645 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1452 |
Weighted residual factors for all reflections included in the refinement | 0.1637 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0287 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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