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Information card for entry 8102652
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| Coordinates | 8102652.cif |
|---|
| Chemical name | 1,1'-Bis(((1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl) cyclopentadienyl)-1-trimethylphosphine-2,3-bis(trimethylsilyl)-1- hafnacycloprop-2-ene hexane solvate (1:0.5), C~41~H~73~HfPSi~2~ 0.5 C~6~H~14~ |
|---|---|
| Formula | C44 H80 Hf P Si2 |
| Calculated formula | C44 H80 Hf P Si2 |
| Title of publication | Crystal structure of 1-bis(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)cyclopentadienyl)-1-trimethylphosphine-2,3-bis(trimethylsilyl)-1-hafnacycloprop-2-ene — hexane (1:0.5), (HfC8H18Si2)(C15H22)2(PC3H9) · 0.5C6H14 |
| Authors of publication | Marcus Klahn; Anke Spannenberg; Uwe Rosenthal |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 2 |
| Pages of publication | 262 |
| a | 14.96343 ± 0.00017 Å |
| b | 14.96343 ± 0.00017 Å |
| c | 44.927 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10059.3 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0321 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102652.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102652.cif |
| 13391 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102652 via cif-deposit CGI script. |
8102652.cif |
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Users of the data should acknowledge the original authors of the
structural data.