Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1544794
Preview
Coordinates | 1544794.cif |
---|---|
Structure factors | 1544794.hkl |
Original IUCr paper | HTML |
Common name | manganese(II) <i>p</i>-arsanilate decahydrate |
---|---|
Chemical name | Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate |
Formula | C12 H34 As2 Mn N2 O16 |
Calculated formula | C12 H34 As2 Mn N2 O16 |
SMILES | [As]([O-])(=O)(O)c1ccc(N)cc1.[As]([O-])(=O)(O)c1ccc(N)cc1.[Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O |
Title of publication | Hexaaquamanganese(II) bis[hydrogen (4-aminophenyl)arsonate] tetrahydrate |
Authors of publication | Smith, Graham; Wermuth, Urs D. |
Journal of publication | IUCrData |
Year of publication | 2016 |
Journal volume | 1 |
Journal issue | 12 |
Pages of publication | x161985 |
a | 15.204 ± 0.0009 Å |
b | 6.7388 ± 0.0003 Å |
c | 13.0699 ± 0.0008 Å |
α | 90° |
β | 107.951 ± 0.007° |
γ | 90° |
Cell volume | 1273.91 ± 0.13 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0351 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0635 |
Weighted residual factors for all reflections included in the refinement | 0.0679 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
189172 (current) | 2016-12-17 | cif/ hkl/ Adding structures of 1544794 via cif-deposit CGI script. |
1544794.cif 1544794.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.