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Information card for entry 8102030
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| Coordinates | 8102030.cif |
|---|---|
| External links | PubChem |
| Chemical name | tetra(2-aminopyrimidine)dimethanolato-dinickel(II) di(tetrafluoroborate) |
|---|---|
| Formula | C18 H26 B2 F8 N12 Ni2 O2 |
| Calculated formula | C18 H26 B2 F8 N12 Ni2 O2 |
| Title of publication | Crystal structure of tetra(2-aminopyrimidine)di-methanolato-dinickel (II) di(tetrafluoroborate), [Ni~2~(CH~3~O)~2~(C~4~H~5~N~3~)~4~][BF~4~] ~2~ |
| Authors of publication | Xu, S.-P.; Liu, C.-H.; Cao, P. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 403 - 404 |
| a | 16.341 ± 0.006 Å |
| b | 14.796 ± 0.002 Å |
| c | 12.051 ± 0.004 Å |
| α | 90° |
| β | 132.36 ± 0.01° |
| γ | 90° |
| Cell volume | 2153 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1808 |
| Weighted residual factors for all reflections included in the refinement | 0.2008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102030.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102030.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102030.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102030.cif |
| 12769 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8102030 via cif-deposit CGI script. |
8102030.cif |
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Users of the data should acknowledge the original authors of the
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