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Information card for entry 7021651
Preview
Coordinates | 7021651.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | CFA-1 |
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Formula | C44 H30 N18 O8 Zn5 |
Calculated formula | C44 H29.97 N18 O7.98 Zn5 |
Title of publication | CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units. |
Authors of publication | Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 30 |
Pages of publication | 10786 - 10797 |
a | 17.75 ± 0.003 Å |
b | 17.75 ± 0.003 Å |
c | 19.192 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5236.6 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Ambient diffracton pressure | 100 kPa |
Number of distinct elements | 5 |
Space group number | 150 |
Hermann-Mauguin space group symbol | P 3 2 1 |
Hall space group symbol | P 3 2" |
Residual factor for all reflections | 0.0494 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.1131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.88561 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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