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Information card for entry 4317386
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Coordinates | 4317386.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H26 I N12 Na O |
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Calculated formula | C23 H26 I N12 Na O |
SMILES | [I-].[Na]1234([n]5cccn5C(n5ccc[n]15)n1ccc[n]12)[n]1cccn1C(n1ccc[n]13)n1ccc[n]14.C(=O)(C)C |
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 | 16.931 ± 0.001 Å |
b | 22.368 ± 0.003 Å |
c | 7.937 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3005.8 ± 0.9 Å3 |
Cell temperature | 253 ± 2 K |
Ambient diffraction temperature | 253 ± 2 K |
Number of distinct elements | 6 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for all reflections | 0.08 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Goodness-of-fit parameter for all reflections | 0.857 |
Goodness-of-fit parameter for significantly intense reflections | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4317386.html
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