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Information card for entry 4113381
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Coordinates | 4113381.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tripodand 1-Fe |
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Formula | C66 H71 F12 Fe N7 O10 P2 |
Calculated formula | C66 H69 F11.94 Fe N7 O9.99 P2 |
Title of publication | Remarkably Large Positive and Negative Allosteric Effects on Ion Recognition by the Formation of a Novel Helical Pseudocryptand |
Authors of publication | Tatsuya Nabeshima; Yuko Yoshihira; Toshiyuki Saiki; Shigehisa Akine; Ernst Horn |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 28 - 29 |
a | 13.7573 ± 0.0005 Å |
b | 13.7573 ± 0.0005 Å |
c | 125.44 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 20560.5 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.1124 |
Residual factor for significantly intense reflections | 0.0751 |
Weighted residual factors for significantly intense reflections | 0.1675 |
Weighted residual factors for all reflections included in the refinement | 0.1936 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71069 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/4113381.html
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