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Information card for entry 4342506
Preview
| Coordinates | 4342506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C111 H118 Co3 F12 N14 O26 S4 |
|---|---|
| Calculated formula | C95 H106 Co3 F12 N10 O26 S4 |
| Title of publication | A family of tri- and dimetallic pyridine dicarboxamide cryptates: unusual o,n,o-coordination and facile access to secondary coordination sphere hydrogen bonding interactions. |
| Authors of publication | Guillet, Gary L.; Gordon, Jesse B.; Di Francesco, Gianna N.; Calkins, Matthew W.; Čižmár, Erik; Abboud, Khalil A.; Meisel, Mark W.; García-Serres, Ricardo; Murray, Leslie J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 2691 - 2704 |
| a | 12.6404 ± 0.0003 Å |
| b | 41.0768 ± 0.0011 Å |
| c | 23.8572 ± 0.0006 Å |
| α | 90° |
| β | 96.972 ± 0.002° |
| γ | 90° |
| Cell volume | 12295.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1736 |
| Residual factor for significantly intense reflections | 0.0948 |
| Weighted residual factors for significantly intense reflections | 0.2181 |
| Weighted residual factors for all reflections included in the refinement | 0.2451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.885 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179528 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/25. |
4342506.cif |
| 134773 | 2015-04-04 | cif/ Updating files of 4342504, 4342505, 4342506, 4342507, 4342508, 4342509, 4342510 Original log message: Adding full bibliography for 4342504--4342510.cif. |
4342506.cif |
| 132386 | 2015-02-25 | cif/ Adding structures of 4342506 via cif-deposit CGI script. |
4342506.cif |
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Users of the data should acknowledge the original authors of the
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