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Information card for entry 7023742
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| Coordinates | 7023742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis(1,4,7,10,13-pentaoxacyclopentadecane)tin(II) tris(tetrafluoroborate) oxonium hydrate |
|---|---|
| Formula | C20 H45 B3 F12 O12 Sn |
| Calculated formula | C20 H40 B3 F12 O12 Sn |
| Title of publication | Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures. |
| Authors of publication | Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 42 |
| Pages of publication | 15183 - 15190 |
| a | 14.116 ± 0.002 Å |
| b | 15.118 ± 0.002 Å |
| c | 16.137 ± 0.006 Å |
| α | 90° |
| β | 90.793 ± 0.006° |
| γ | 90° |
| Cell volume | 3443.4 ± 1.4 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0911 |
| Residual factor for significantly intense reflections | 0.0727 |
| Weighted residual factors for significantly intense reflections | 0.1868 |
| Weighted residual factors for all reflections included in the refinement | 0.2033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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. |
7023742.cif |
| 179942 | 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 7/02/37. |
7023742.cif |
| 90621 | 2013-11-18 | cif/ Adding structures of 7023741, 7023742, 7023743, 7023744, 7023745 via cif-deposit CGI script. |
7023742.cif |
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