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Information card for entry 4317390
Preview
| Coordinates | 4317390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H44 F6 K N12 P |
|---|---|
| Calculated formula | C32 H44 F6 K N12 P |
| SMILES | [K]1234([n]5n(C(n6[n]1c(cc6C)C)n1[n]2c(cc1C)C)c(cc5C)C)[n]1n(C(n2[n]3c(cc2C)C)n2[n]4c(cc2C)C)c(cc1C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Syntheses and Solid State Structures of Tris(pyrazolyl)methane Complexes of Sodium, Potassium, Calcium, and Strontium: Comparison of Structures with Analogous Complexes of Lead(II) |
| Authors of publication | Daniel L. Reger; Christine A. Little; Mark D. Smith; Arnold L. Rheingold; Louise M. Liable-Sands; Glen P. A. Yap; Ilia A. Guzei |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 19 - 27 |
| a | 9.144 ± 0.004 Å |
| b | 13.377 ± 0.006 Å |
| c | 15.988 ± 0.007 Å |
| α | 90° |
| β | 92.291 ± 0.01° |
| γ | 90° |
| Cell volume | 1954.1 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1269 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179253 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/73. |
4317390.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317390.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317390.cif |
| 11869 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4317390 via cif-deposit CGI script. |
4317390.cif |
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Users of the data should acknowledge the original authors of the
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