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Information card for entry 4317389
Preview
Coordinates | 4317389.cif |
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Original paper (by DOI) | HTML |
Formula | C44 H56 I N12 Na |
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Calculated formula | C44 H56 I N12 Na |
SMILES | [I-].c1(C)cc(C)[n]2n1C(n1c(cc(C)[n]13)C)n1c(C)cc(C)[n]1[Na]1423[n]2(nc(C)cc2C)C(n2[n]1c(C)cc2C)n1[n]4c(C)cc1C.c1ccccc1.c1ccccc1 |
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 | 10.7483 ± 0.0008 Å |
b | 10.7483 ± 0.0008 Å |
c | 35.395 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3541.2 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0262 |
Residual factor for significantly intense reflections | 0.0259 |
Weighted residual factors for significantly intense reflections | 0.0683 |
Weighted residual factors for all reflections included in the refinement | 0.0686 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/4317389.html
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Users of the data should acknowledge the original authors of the
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