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Information card for entry 7017704
Preview
| Coordinates | 7017704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H68 N8 O16 P4 V4 |
|---|---|
| Calculated formula | C36 H68 N8 O16 P4 V4 |
| SMILES | c1(C)cc(C)[nH][n]1[V]12(=O)[O]=P3(C(C)(C)C)O[V]4([n]5c(cc(C)[nH]5)C)([O]=P5(C(C)(C)C)O[V]([n]6c(C)cc(C)[nH]6)(O3)(=O)[O]=P(C(C)(C)C)(O[V]([n]3c(cc(C)[nH]3)C)(O5)([O]=P(C(C)(C)C)(O4)O2)=O)O1)=O |
| Title of publication | Distorted cubic tetranuclear vanadium(IV) phosphonate cages: double-four-ring (D4R) containing transition metal ion phosphonate cages. |
| Authors of publication | Chandrasekhar, Vadapalli; Dey, Atanu; Senapati, Tapas; Sañudo, E Carolina |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 3 |
| Pages of publication | 799 - 803 |
| a | 14.365 ± 0.004 Å |
| b | 12.815 ± 0.003 Å |
| c | 30.31 ± 0.003 Å |
| α | 90° |
| β | 90.245 ± 0.005° |
| γ | 90° |
| Cell volume | 5580 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7017704.cif |
| 179881 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/77. |
7017704.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017704.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017704.cif |
| 33395 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017703, 7017704 via cif-deposit CGI script. |
7017704.cif |
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