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Information card for entry 2233051
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| Coordinates | 2233051.cif |
|---|---|
| Structure factors | 2233051.hkl |
| Original IUCr paper | HTML |
| Chemical name | pentaguanidinium dihydrogen nonavanado(IV)platinate(IV) |
|---|---|
| Formula | C5 H32 N15 O28 Pt V9 |
| Calculated formula | C5 H32 N15 O28 Pt V9 |
| SMILES | C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.[O]1234[V]567([OH][Pt]894%10[O]4%11%12[V]%13%14([OH]8)(O[V]8%15(O[V]14%16%17[O]1[V]2([O]9[V]1%11(O8)(O%13)=O)(O6)(O[V](O%16)(O5)(O[V]13([O]%10[V]%12([O]1%17)(O%14)(O%15)=O)(O7)=O)=O)=O)=O)=O)=O |
| Title of publication | Anhydrous pentaguanidinium dihydrogen nonavanado(IV)platinate(IV) |
| Authors of publication | Joo, Hea-Chung; Park, Ki-Min; Lee, Uk |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1801 - m1802 |
| a | 12.8861 ± 0.0003 Å |
| b | 18.5137 ± 0.0005 Å |
| c | 15.2299 ± 0.0004 Å |
| α | 90° |
| β | 91.143 ± 0.001° |
| γ | 90° |
| Cell volume | 3632.66 ± 0.16 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 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 | 0.0432 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/30. |
2233051.cif 2233051.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233051.cif 2233051.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233051.cif 2233051.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233051.cif 2233051.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233051.cif 2233051.hkl |
| 31946 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233051 via cif-deposit CGI script. |
2233051.cif |
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Users of the data should acknowledge the original authors of the
structural data.