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Information card for entry 7225065
Preview
Coordinates | 7225065.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H52 N2 O12 P4 |
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Calculated formula | C28 H52 N2 O12 P4 |
SMILES | P(=O)(CCCCCCCCCP(=O)(O)O)([O-])O.[nH+]1ccc(c2cc[nH+]cc2)cc1.C(CCCCCCCCP(=O)(O)O)P(=O)([O-])O |
Title of publication | A detailed comparative structural study of the hydrogen bonded networks in solids, obtained by the reaction of 4,4′-bipyridine and varied alkane-α,ω-diphosphonic acids |
Authors of publication | van Megen, M.; Frank, W.; Reiss, G. J. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 20 |
Pages of publication | 3574 |
a | 42.86 ± 0.009 Å |
b | 11.426 ± 0.002 Å |
c | 7.3826 ± 0.0015 Å |
α | 90° |
β | 90.59 ± 0.03° |
γ | 90° |
Cell volume | 3615.2 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0598 |
Residual factor for significantly intense reflections | 0.0504 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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