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Information card for entry 2010720
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Coordinates | 2010720.cif |
---|---|
Original IUCr paper | HTML |
Formula | C42 H60 N6 O18 P6 |
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Calculated formula | C42 H60 N6 O18 P6 |
SMILES | c1(cc(ccc1)C)[NH3+].[NH3+]c1cc(ccc1)C.[NH3+]c1cc(ccc1)C.[O-]P1(=O)OP(=O)([O-])OP(=O)(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1)[O-].c1(cc(ccc1)C)[NH3+].c1(cc(ccc1)C)[NH3+].[NH3+]c1cc(ccc1)C |
Title of publication | (<i>m</i>-CH~3~C~6~H~4~NH~3~)~6~P~6~O~18~ |
Authors of publication | Marouni, Houda; Rzaigui, Mohamed; Bagieu-Beucher, Muriel |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 3 |
Pages of publication | 356 - 357 |
a | 14.622 ± 0.003 Å |
b | 10.656 ± 0.004 Å |
c | 9.216 ± 0.004 Å |
α | 112.72 ± 0.03° |
β | 91.29 ± 0.03° |
γ | 89.68 ± 0.03° |
Cell volume | 1324.2 ± 0.9 Å3 |
Cell temperature | 296.2 K |
Ambient diffraction temperature | 296.2 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 | 0.0347 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for all reflections | 0.05 |
Weighted residual factors for all reflections included in the refinement | 0.05 |
Goodness-of-fit parameter for all reflections | 1.28 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.28 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2010720.html
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Users of the data should acknowledge the original authors of the
structural data.