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Information card for entry 8102334
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| Coordinates | 8102334.cif |
|---|---|
| External links | PubChem |
| Formula | C72 H60 N4 O13 Pr2 |
|---|---|
| Calculated formula | C72 H60 N4 O13 Pr2 |
| Title of publication | Crystal structure of tetrakis(2-2-methylbenzoato)-bis(2-methylbenzoato)-bis(1,10-phenanthroline)dipraseodymium(III) monohydrate, Pr2(C8H7O2)4(C8H7O2)2(C12H8N2)2 · H2O |
| Authors of publication | Zhongfang Li; Suwen Wang; Wei Wang; Yunhui Dong; Xianjin Yu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 4 |
| Pages of publication | 415 |
| a | 12.986 ± 0.003 Å |
| b | 13.992 ± 0.003 Å |
| c | 20.889 ± 0.004 Å |
| α | 101.18 ± 0.03° |
| β | 93.88 ± 0.03° |
| γ | 115.82 ± 0.03° |
| Cell volume | 3301.7 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1115 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Weighted residual factors for all reflections included in the refinement | 0.2013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102334.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102334.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. |
8102334.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102334.cif |
| 13073 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102334 via cif-deposit CGI script. |
8102334.cif |
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Users of the data should acknowledge the original authors of the
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