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Information card for entry 7022064
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Coordinates | 7022064.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Oxomolybdenum(VI/V) imidazole hydrate |
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Formula | C12 H18 Mo3 N8 O9 |
Calculated formula | C12 H18 Mo3 N8 O9 |
SMILES | [Mo]123([Mo](O1)(O[Mo](O3)(=O)=O)(O2)(=O)([n]1c[nH]cc1)[n]1cc[nH]c1)(=O)([n]1c[nH]cc1)[n]1c[nH]cc1.O |
Title of publication | Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes. |
Authors of publication | Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 5 |
Pages of publication | 1627 - 1636 |
a | 8.2312 ± 0.0002 Å |
b | 15.6958 ± 0.0004 Å |
c | 8.7803 ± 0.0002 Å |
α | 90° |
β | 99.098 ± 0.002° |
γ | 90° |
Cell volume | 1120.1 ± 0.05 Å3 |
Cell temperature | 446 ± 2 K |
Ambient diffraction temperature | 446 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0312 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.068 |
Weighted residual factors for all reflections included in the refinement | 0.07 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.741 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179925 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/20. |
7022064.cif |
89958 | 2013-11-17 | cif/ Adding structures of 7022057, 7022058, 7022059, 7022060, 7022061, 7022062, 7022063, 7022064 via cif-deposit CGI script. |
7022064.cif |
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Users of the data should acknowledge the original authors of the
structural data.