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Information card for entry 7113994
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Coordinates | 7113994.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound 1a |
---|---|
Formula | C43 H52 Cl3 N15 O10 P3 Re3 |
Calculated formula | C39 H42 Cl3 N15 O9 P3 Re3 |
SMILES | [Re]12([N]3=P(N=P(N=P3(n3[n]1c(cc3C)C)n1nc(cc1C)C)(n1nc(cc1C)C)n1nc(cc1C)C)(n1[n]2c(cc1C)C)n1nc(cc1C)C)(C#[O])(C#[O])C#[O].[Re]12([Cl][Re]([Cl]1)([Cl]2)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
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 | 10.987 ± 0.003 Å |
b | 24.36 ± 0.006 Å |
c | 21.664 ± 0.005 Å |
α | 90° |
β | 101.356 ± 0.004° |
γ | 90° |
Cell volume | 5685 ± 2 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 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 all reflections | 0.1264 |
Residual factor for significantly intense reflections | 0.0732 |
Weighted residual factors for significantly intense reflections | 0.1458 |
Weighted residual factors for all reflections included in the refinement | 0.1595 |
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 |
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The link is: https://www.crystallography.net/7113994.html
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