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Information card for entry 2023519
Preview
Coordinates | 2023519.cif |
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Structure factors | 2023519.hkl |
Original IUCr paper | HTML |
Common name | Calcium bi-tetrafluoroborate tetrahydrate |
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Chemical name | Calcium bis(tetrafluoroborate) tetrahydrate Ca(BF~4~)~2~.<i>x</i>H~2~O |
Formula | B2 Ca F8 H8 O4 |
Calculated formula | B2 Ca F8 H8 O4 |
Title of publication | Ca(BF~4~)~2~.<i>x</i>H~2~O redefined from powder diffraction as hydrogen-bonded Ca(H~2~O)~4~(BF~4~)~2~ ribbons |
Authors of publication | Armel Le Bail |
Journal of publication | Acta Crystallographica, Section C |
Year of publication | 2025 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 338 - 341 |
a | 5.5192 ± 0.0003 Å |
b | 7.6756 ± 0.0003 Å |
c | 11.6518 ± 0.0005 Å |
α | 77.439 ± 0.003° |
β | 89.579 ± 0.003° |
γ | 88.625 ± 0.002° |
Cell volume | 481.65 ± 0.04 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Goodness-of-fit parameter for all reflections | 4.267 |
Method of determination | powder diffraction |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
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300090 (current) | 2025-06-15 | cif/ hkl/ Adding structures of 2023519 via cif-deposit CGI script. |
2023519.cif 2023519.hkl |
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