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Information card for entry 7016071
Preview
Coordinates | 7016071.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H86 Mo6 N4 O20 |
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Calculated formula | C46 H86 Mo6 N4 O20 |
SMILES | [Mo]1234([O]5678[Mo]9%10(=O)(O1)O[Mo]15(=O)(O2)O[Mo]27(=O)(O4)O[Mo]6(=O)(O3)(O9)O[Mo]8(=O)(O%10)(O1)O2)=Nc1c(OC)cc(cc1)c1cc(OC)c(N)cc1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Monosubstituted arylimido hexamolybdates containing pendant amino groups: synthesis and structural characterization. |
Authors of publication | Zhu, Yi; Xiao, Zicheng; Wang, Longsheng; Yin, Panchao; Hao, Jian; Wei, Yongge; Wang, Yuan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 28 |
Pages of publication | 7304 - 7309 |
a | 12.638 ± 0.003 Å |
b | 12.773 ± 0.003 Å |
c | 20.309 ± 0.004 Å |
α | 83.61 ± 0.03° |
β | 76.11 ± 0.03° |
γ | 79.62 ± 0.03° |
Cell volume | 3122.5 ± 1.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0763 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1336 |
Weighted residual factors for all reflections included in the refinement | 0.1497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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