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Information card for entry 1517052
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Coordinates | 1517052.cif |
---|
Formula | C40 H38 Co N4 O12 P4 |
---|---|
Calculated formula | C40 H38 Co N4 O12 P4 |
SMILES | [Co]12([O]=P(O)(O)Cc3ccc(CP(=O)(O)O)cc3)([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)[O]=P(O)(O)Cc1ccc(CP(=[O][Co]23([n]4cccc5ccc6ccc[n]2c6c45)[n]2cccc4ccc5ccc[n]3c5c24)(O)O)cc1.P(=O)([O-])(O)Cc1ccc(cc1)CP(=O)(O)[O-].P(=O)([O-])(O)Cc1ccc(cc1)CP(=O)([O-])O |
Title of publication | Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands |
Authors of publication | Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 402 |
Pages of publication | 46 - 59 |
a | 18.2825 ± 0.0011 Å |
b | 25.5632 ± 0.0016 Å |
c | 8.5534 ± 0.0005 Å |
α | 90° |
β | 96.522 ± 0.001° |
γ | 90° |
Cell volume | 3971.6 ± 0.4 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0357 |
Residual factor for significantly intense reflections | 0.0288 |
Weighted residual factors for significantly intense reflections | 0.0741 |
Weighted residual factors for all reflections included in the refinement | 0.0775 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/1517052.html
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