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Information card for entry 7113995
Preview
Coordinates | 7113995.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 2a |
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Formula | C17 H26 F6 N11 O3 P3 Re Sb |
Calculated formula | C17 H26 F6 N11 O3 P3 Re Sb |
SMILES | [Re]12([N]3=P(N=P4(N=P53N(CCN5C)C)N(CCN4C)C)(n3[n]1ccc3)n1[n]2ccc1)(C#[O])(C#[O])C#[O].[Sb](F)(F)(F)(F)(F)[F-] |
Title of publication | First rhenium complexes based on cyclotriphosphazene scaffolds with exocyclic pyrazolyl substituentsElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b203254f/ |
Authors of publication | Harmjanz, Michael; Scott, Brian L.; Burns, Carol J. |
Journal of publication | Chemical Communications |
Year of publication | 2002 |
Journal issue | 13 |
Pages of publication | 1386 |
a | 8.838 ± 0.003 Å |
b | 13.475 ± 0.005 Å |
c | 13.819 ± 0.005 Å |
α | 97.523 ± 0.005° |
β | 108.543 ± 0.005° |
γ | 91.604 ± 0.006° |
Cell volume | 1542.6 ± 1 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0495 |
Residual factor for significantly intense reflections | 0.0418 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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