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Information card for entry 4334056
Preview
Coordinates | 4334056.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H104 Cd6 Cl2 N12 O15 S12 |
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Calculated formula | C68 H104.04 Cd6 Cl2 N12 O15 S12 |
Title of publication | Carbonate-Templated Self-Assembly of an Alkylthiolate-Bridged Cadmium Macrocycle |
Authors of publication | Wei Lai; Steven M. Berry; William P. Kaplan; Malia S. Hain; John C. Poutsma; Raymond J. Butcher; Robert D. Pike; Deborah C. Bebout |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 2286 - 2288 |
a | 13.181 ± 0.01 Å |
b | 13.181 ± 0.01 Å |
c | 43.83 ± 0.06 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6595 ± 11 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 7 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0674 |
Weighted residual factors for all reflections included in the refinement | 0.0713 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179443 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40. |
4334056.cif |
99866 | 2014-02-03 | cif/ Adding structures of 4334056 via cif-deposit CGI script. |
4334056.cif |
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Users of the data should acknowledge the original authors of the
structural data.