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Information card for entry 7020828
Preview
| Coordinates | 7020828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28 Ca N2 O8 P2 |
|---|---|
| Calculated formula | C34 H28 Ca N2 O8 P2 |
| SMILES | c1(ccccc1)OP(=O)([O-])Oc1ccccc1.c1cc(c2ccncc2)ccn1.[Ca+2].c1(ccccc1)OP(=O)(Oc1ccccc1)[O-] |
| Title of publication | Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing. |
| Authors of publication | Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 6 |
| Pages of publication | 2094 - 2106 |
| a | 24.606 ± 0.005 Å |
| b | 5.763 ± 0.005 Å |
| c | 12.118 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 111.975 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 1593.5 ± 1.6 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0473 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179913 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08. |
7020828.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020828.cif |
| 73679 | 2013-02-21 | cif/ Adding structures of 7020822, 7020823, 7020824, 7020825, 7020826, 7020827, 7020828, 7020829, 7020830, 7020831 via cif-deposit CGI script. |
7020828.cif |
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Users of the data should acknowledge the original authors of the
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