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Information card for entry 7029169
Preview
| Coordinates | 7029169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6.33 H18.67 Cl0.67 F3 Nb O3 P2 |
|---|---|
| Calculated formula | C6.33333 H18.6667 Cl0.666667 F3 Nb O3 P2 |
| Title of publication | Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues. |
| Authors of publication | Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 9 |
| Pages of publication | 3649 - 3659 |
| a | 7.889 ± 0.0015 Å |
| b | 14.584 ± 0.003 Å |
| c | 20.046 ± 0.004 Å |
| α | 102.497 ± 0.004° |
| β | 99.803 ± 0.004° |
| γ | 97.324 ± 0.002° |
| Cell volume | 2186.2 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
7029169.cif |
| 179997 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91. |
7029169.cif |
| 105530 | 2014-03-12 | cif/ Adding structures of 7029168, 7029169, 7029170, 7029171, 7029172, 7029173, 7029174, 7029175 via cif-deposit CGI script. |
7029169.cif |
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Users of the data should acknowledge the original authors of the
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