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Information card for entry 7024265
Preview
Coordinates | 7024265.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H25 Mn N2 O5 |
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Calculated formula | C22 H25 Mn N2 O5 |
SMILES | c12ccccc1C=[N]1CC(C[N]3=Cc4c(cccc4)O[Mn]413([O]=C(CCCC)O4)O2)O |
Title of publication | Is there really a diagnostically useful relationship between the carbon-oxygen stretching frequencies in metal carboxylate complexes and their coordination mode? |
Authors of publication | Martínez, David; Motevalli, Majid; Watkinson, Michael |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 2 |
Pages of publication | 446 - 455 |
a | 17.354 ± 0.002 Å |
b | 13.042 ± 0.002 Å |
c | 9.36 ± 0.003 Å |
α | 90° |
β | 95.17 ± 0.02° |
γ | 90° |
Cell volume | 2109.8 ± 0.8 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.1064 |
Residual factor for significantly intense reflections | 0.0925 |
Weighted residual factors for significantly intense reflections | 0.3106 |
Weighted residual factors for all reflections included in the refinement | 0.327 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.51 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7024265.html
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