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Information card for entry 4308297
Preview
| Coordinates | 4308297.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H40 Ca N2 O4 |
|---|---|
| Calculated formula | C32 H40 Ca N2 O4 |
| Title of publication | Syntheses and Structures of Alkaline Earth Metal Bis(diphenylamides) |
| Authors of publication | Martin Gärtner; Reinald Fischer; Jens Langer; Helmar Görls; Dirk Walther; Matthias Westerhausen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 5118 - 5124 |
| a | 24.9375 ± 0.0008 Å |
| b | 17.2162 ± 0.0005 Å |
| c | 18.4757 ± 0.0006 Å |
| α | 90° |
| β | 129.216 ± 0.002° |
| γ | 90° |
| Cell volume | 6145.6 ± 0.4 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0792 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4308297.cif |
| 179120 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/82. |
4308297.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308297.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308297.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308297.cif |
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Users of the data should acknowledge the original authors of the
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