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Information card for entry 8101020
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Coordinates | 8101020.cif |
---|
Formula | C22 H15 F6 N7 O12 Re2 S2 |
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Calculated formula | C22 H15 F6 N7 O12 Re2 S2 |
SMILES | [Re]1([n]2c3[n]([Re]([n]4c3[n]1ccc4)([N]#CC)(C#[O])(C#[O])C#[O])ccc2)([N]#CC)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC |
Title of publication | Crystal structure of μ-2,2'-bipyrimidine-bis(acetonitrile)-hexacarbonyl- dirhenium(I) bis(trifluoromethanesulfonate) acetonitrile, (C~18~H~12~N~6~O~6~Re~2~)(CF~3~O~3~S)~2~(C~2~H~3~N) |
Authors of publication | Aechter, Bernd; Polborn, Kurt; Beck, Wolfgang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2001 |
Journal volume | 216 |
Journal issue | 3 |
Pages of publication | 409 - 410 |
a | 15.267 ± 0.002 Å |
b | 12.554 ± 0.002 Å |
c | 19.924 ± 0.003 Å |
α | 90 ± 0.012° |
β | 111.876 ± 0.012° |
γ | 90 ± 0.011° |
Cell volume | 3543.7 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0406 |
Weighted residual factors for significantly intense reflections | 0.0829 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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