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Information card for entry 8102793
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| Coordinates | 8102793.cif |
|---|
| Formula | C26 H58 Ce N3 O21 P4 |
|---|---|
| Calculated formula | C26 H58 Ce N3 O21 P4 |
| SMILES | [Ce]12345([O]=P(OC(C)C)(OC(C)C)C=P(OC(C)C)(OC(C)C)O1)([O]=P(OC(C)C)(OC(C)C)C=P(OC(C)C)(OC(C)C)O2)(ON(=[O]3)=O)([O]=N(=O)O4)[O]=N(=O)O5 |
| Title of publication | Crystal structure of bis(O,O'-tetraisopropylmethylenediphosphonate)cerium(III) trinitrate, Ce(NO3)3[CH2P2O2(C3H7O)4]2 |
| Authors of publication | Rong Wang; Kai-Jun Mu; Shuang-Feng Deng; Qiong-Hua Jin; Cun-Lin Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 3 |
| Pages of publication | 613 |
| a | 18.347 ± 0.006 Å |
| b | 11.91 ± 0.004 Å |
| c | 23.415 ± 0.007 Å |
| α | 90° |
| β | 104.327 ± 0.005° |
| γ | 90° |
| Cell volume | 4957 ± 3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.577 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102793.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102793.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102793.cif |
| 13532 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102793 via cif-deposit CGI script. |
8102793.cif |
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Users of the data should acknowledge the original authors of the
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