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Information card for entry 2229259
Preview
Coordinates | 2229259.cif |
---|---|
Structure factors | 2229259.hkl |
Original IUCr paper | HTML |
Chemical name | hexaaquaaluminium hexahydroxidooctadecaoxidomolybdochromate(III) decahydrate, |
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Formula | Al Cr H38 Mo6 O40 |
Calculated formula | Al Cr H38 Mo6 O40 |
SMILES | [Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[Cr]12345[OH]6[Mo]78(O[Mo]96(O[Mo]6(O[Mo]%10(O[Mo]%11(O[Mo](O7)([OH]18)(=O)([OH]3%11)=O)([OH]4%10)(=O)=O)([OH]56)(=O)=O)([OH]29)(=O)=O)(=O)=O)(=O)=O.O.O.O.O.O.O.O.O.O.O |
Title of publication | [Al(H~2~O)~6~][Cr(OH)~6~Mo~6~O~18~]·10H~2~O |
Authors of publication | Li, Bao; Ye, Ling; Wu, Li-Xin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 2 |
Pages of publication | i8 |
a | 6.809 ± 0.005 Å |
b | 11.267 ± 0.007 Å |
c | 11.596 ± 0.009 Å |
α | 101.26 ± 0.03° |
β | 97.02 ± 0.03° |
γ | 101.81 ± 0.03° |
Cell volume | 841.7 ± 1.1 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0391 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.09 |
Weighted residual factors for all reflections included in the refinement | 0.0929 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181213 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/92. |
2229259.cif 2229259.hkl |
176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229259.cif 2229259.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229259.cif 2229259.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. | 2229259.cif 2229259.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229259.cif 2229259.hkl |
14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229259.cif 2229259.hkl |
12352 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229259 via cif-deposit CGI script. |
2229259.cif |
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Users of the data should acknowledge the original authors of the
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