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Information card for entry 4510583
Preview
| Coordinates | 4510583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C135 H181 Cl9 Co9 N36 O9 P3 |
|---|---|
| Calculated formula | C135 H181 Cl9 Co9 N36 O9 P3 |
| SMILES | c1cc(ccc1)C.Cc1cc(C)n2[Co]34n5c(cc(C)[n]5[Co]([n]5c(cc(C)[nH]5)C)([n]5c(C)cc(C)n45)OP(=O)(C(Cl)(Cl)Cl)O[Co]4([n]5c(cc(C)[nH]5)C)n5c(cc(C)[n]5[Co]5([n]6c(cc(C)n6[Co]([n]6c(cc(C)[nH]6)C)([n]6c(cc(C)n56)C)OP(=O)(C(Cl)(Cl)Cl)O[Co]5([n]6c(cc(C)[nH]6)C)[n]6c(cc(C)n6[Co]6([n]7c(cc(C)n7[Co]([n]7c(C)cc(C)[nH]7)(n7c(cc(C)[n]67)C)OP(=O)(C(Cl)(Cl)Cl)O[Co](n6c(cc(C)[n]36)C)([n]12)[n]1c(C)cc(C)[nH]1)C)n1c(cc(C)[n]51)C)C)C)[n]1c(cc(C)n41)C)C)C.c1cc(ccc1)C.c1(ccccc1)C.c1(ccccc1)C.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | A 30-Membered Nonanuclear Cobalt(II) Macrocycle Containing Phosphonate-Bridged Trinuclear Subunits |
| Authors of publication | Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 2725 |
| a | 18.446 ± 0.005 Å |
| b | 21.371 ± 0.005 Å |
| c | 25.362 ± 0.005 Å |
| α | 69.974 ± 0.005° |
| β | 83.293 ± 0.005° |
| γ | 64.7 ± 0.005° |
| Cell volume | 8487 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1151 |
| Residual factor for significantly intense reflections | 0.1038 |
| Weighted residual factors for significantly intense reflections | 0.3158 |
| Weighted residual factors for all reflections included in the refinement | 0.3387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179652 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05. |
4510583.cif |
| 119054 | 2014-07-05 | cif/ Updating files of 4510583 Original log message: Adding full bibliography for 4510583.cif. |
4510583.cif |
| 112868 | 2014-05-06 | cif/ Adding structures of 4510583 via cif-deposit CGI script. |
4510583.cif |
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Users of the data should acknowledge the original authors of the
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