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Information card for entry 8102984
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Coordinates | 8102984.cif |
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Chemical name | hemicalcium diaquairon(II) catena-(monoboro-diphosphate) monohydrate |
---|---|
Formula | B Ca0.5 Fe H6 O11 P2 |
Calculated formula | B Ca0.5 Fe H4 O11 P2 |
Title of publication | Crystal structure of hemicalcium diaquairon(II) catena-(monoboro-diphosphate) monohydrate, Ca0.5Fe(H2O)2[BP2O8] · H2O |
Authors of publication | Prashanth W. Menezes; Stefan Hoffmann; Yurii Prots; Rüdiger Kniep |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2008 |
Journal volume | 223 |
Journal issue | 1 |
Pages of publication | 9 |
a | 9.5091 ± 0.0004 Å |
b | 9.5091 ± 0.0004 Å |
c | 15.7342 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1232.12 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 295.15 K |
Number of distinct elements | 6 |
Space group number | 179 |
Hermann-Mauguin space group symbol | P 65 2 2 |
Hall space group symbol | P 65 2 (0 0 1) |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.215 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102984.cif |
108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102984.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102984.cif |
13723 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102984 via cif-deposit CGI script. |
8102984.cif |
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Users of the data should acknowledge the original authors of the
structural data.