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Information card for entry 7023741
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| Coordinates | 7023741.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | aqua-1,4,7,10,13,16-hexaoxacyclooctadecane-tin(II) bis(tetrafluoroborate) hydrate |
|---|---|
| Formula | C12 H30 B2 F8 O9 Sn |
| Calculated formula | C12 H24 B2 F8 O9 Sn |
| SMILES | [Sn]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[OH2].O.O.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| 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 | 21.368 ± 0.006 Å |
| b | 17.042 ± 0.004 Å |
| c | 12.503 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4553 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1527 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.1916 |
| Weighted residual factors for all reflections included in the refinement | 0.2267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7023741.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. |
7023741.cif |
| 90621 | 2013-11-18 | cif/ Adding structures of 7023741, 7023742, 7023743, 7023744, 7023745 via cif-deposit CGI script. |
7023741.cif |
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