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Information card for entry 7022057
Preview
| Coordinates | 7022057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H28 Mo8 N12 O26 |
|---|---|
| Calculated formula | C18 H28 Mo8 N12 O26 |
| SMILES | c1[n](cc[nH]1)[Mo]123([O]4[Mo]567([O]89[Mo]%10%11(=O)(=O)([O]16)O[Mo]169([O]9[Mo]%12([n]%13c[nH]cc%13)(=O)(=O)([Mo]8%119(=O)(O%10)(O%12)=O)[O]6[Mo]68(O5)([O]71[Mo]248(O6)(=O)(O3)=O)(=O)=O)=O)=O)(=O)=O.c1[nH]cc[nH+]1.c1c[nH+]c[nH]1.c1[nH]cc[nH+]1.c1c[nH+]c[nH]1 |
| 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 | 9.3045 ± 0.0003 Å |
| b | 10.5573 ± 0.0005 Å |
| c | 12.4212 ± 0.0004 Å |
| α | 106.644 ± 0.004° |
| β | 103.017 ± 0.003° |
| γ | 109.367 ± 0.004° |
| Cell volume | 1031.34 ± 0.09 Å3 |
| Cell temperature | 446 ± 2 K |
| Ambient diffraction temperature | 446 ± 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 | 0.0604 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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. |
7022057.cif |
| 89958 | 2013-11-17 | cif/ Adding structures of 7022057, 7022058, 7022059, 7022060, 7022061, 7022062, 7022063, 7022064 via cif-deposit CGI script. |
7022057.cif |
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Users of the data should acknowledge the original authors of the
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