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Information card for entry 2233881
Preview
Coordinates | 2233881.cif |
---|---|
Structure factors | 2233881.hkl |
Original IUCr paper | HTML |
Chemical name | Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato- κ^2^<i>O</i>,<i>O</i>']manganese(II) monohydrate |
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Formula | C38 H32 Mn N4 O5 |
Calculated formula | C38 H30 Mn N4 O4 |
SMILES | c1ccc2c(c1)[n](c[nH]2)[Mn]12(OC(=[O]1)Cc1cccc4c1cccc4)(OC(=[O]2)Cc1cccc2c1cccc2)[n]1c[nH]c2c1cccc2 |
Title of publication | Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-κ^2^<i>O</i>,<i>O</i>']manganese(II) monohydrate |
Authors of publication | Zhang, Zhen-Ming; Yin, Fu-Jun; Li, Shu-An; Wang, Li-Ping |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | m328 |
a | 11.654 ± 0.007 Å |
b | 20.013 ± 0.012 Å |
c | 14.329 ± 0.012 Å |
α | 90° |
β | 106.148 ± 0.007° |
γ | 90° |
Cell volume | 3210 ± 4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0781 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.0803 |
Weighted residual factors for all reflections included in the refinement | 0.0896 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2233881.html
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