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Information card for entry 2237318
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| Coordinates | 2237318.cif |
|---|---|
| Structure factors | 2237318.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]- <i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}(perchlorato-κ<i>O</i>)zinc (acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]- <i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}zinc tris(perchlorate) |
|---|---|
| Formula | C48 H54 Cl4 N10 O18 Zn2 |
| Calculated formula | C48 H54 Cl4 N10 O18 Zn2 |
| Title of publication | (Acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]-<i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}(perchlorato-κ<i>O</i>)zinc (acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]-<i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}zinc tris(perchlorate) |
| Authors of publication | Åstrand, Ove Alexander Høgmoen; Görbitz, Carl Henrik; Kristoffersen, Kenneth Aase; Rongved, Pål |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | m112 - m113 |
| a | 41.253 ± 0.008 Å |
| b | 15.057 ± 0.003 Å |
| c | 20.809 ± 0.004 Å |
| α | 90° |
| β | 106.106 ± 0.002° |
| γ | 90° |
| Cell volume | 12418 ± 4 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 105 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181295 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/73. |
2237318.cif 2237318.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237318.cif 2237318.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237318.cif 2237318.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237318.cif 2237318.hkl |
| 75329 | 2013-03-09 | cif/ Adding structures of 2237318 via cif-deposit CGI script. |
2237318.cif |
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Users of the data should acknowledge the original authors of the
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