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Information card for entry 7027582
Preview
| Coordinates | 7027582.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H90 Nb4 O20 |
|---|---|
| Calculated formula | C40 H90 Nb4 O20 |
| SMILES | [Nb]1(OC(C)C)(OC(C)C)(OC(C)C)(OC(C)C)[O]2[Nb]345([O]1CCO3)([O]([Nb]136(OCCO4)([O]5CC[O]1[Nb]([O]6CCO3)(OC(C)C)(OC(C)C)(OC(C)C)OC(C)C)OC(C)C)CC2)OC(C)C |
| Title of publication | Hydroxyethylmethacrylate as a source of ethyleneglycolate ligands. Synthesis and characterization of Nb4(μ,η1,η2-OC2H4O)2(μ3,η1,η2-OC2H4O)2(μ-OC2H4O)(OPri)10 |
| Authors of publication | Hubert-Pfalzgraf, Liliane G.; Abada, Valérie; Vaissermann, Jacqueline |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 15 |
| Pages of publication | 2407 |
| a | 17.938 ± 0.005 Å |
| b | 17.96 ± 0.005 Å |
| c | 9.335 ± 0.005 Å |
| α | 78.86 ± 0.03° |
| β | 74.24 ± 0.03° |
| γ | 78.84 ± 0.02° |
| Cell volume | 2808 ± 1.9 Å3 |
| Cell temperature | 161 K |
| Ambient diffraction temperature | 161 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Goodness-of-fit parameter for significantly intense reflections | 1.1257 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7027582.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7027582.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7027582.cif |
| 95500 | 2014-01-28 | cif/ Adding structures of 7027582 via cif-deposit CGI script. |
7027582.cif |
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