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CIF Information Card
Information card for 2015226
2015225 << 2015226 >> 2015227Preview
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Coordinates |
2015226.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | bis[hydrotris(pyrazolyl)borato]calcium(II) chloroform disolvate |
| Formula | - C20 H22 B2 Ca Cl6 N12 - |
| Calculated formula | - C20 H22 B2 Ca Cl6 N12 - |
| Title of publication | Facial π...Cl...π interactions as the directing motif of the supramolecular structure of bis-hydrotris(pyrazolyl)borates of Mg^2+^ and Ca^2+^ chloroform disolvates |
| Authors of publication | María Gabriela-Ballinas-López; Itzia I. Padilla-Martínez; Francisco J. Martínez-Martínez; Herbert Höpfl; Efrén V. García-Báez |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | m132 - m135 |
| a | 14.6697 ± 0.0009 Å |
| b | 14.6697 ± 0.0009 Å |
| c | 14.6697 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3156.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P a -3 |
| Hall symmetry space group | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0521 |
| Residual factor for observed reflections | 0.0514 |
| Weighted residual factors for the observed reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for observed reflections | 1.308 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |