Information card for entry 7032784

Structure parameters

• Formula: C88 H56 F24 N16 O8 P4 Re4
• Calculated formula: C88 H56 F24 N16 O8 P4 Re4
• SMILES: c1cccc2c3cc4cc5[n]3[Re]([n]12)([n]1c5cccc1)([n]1ccc(c2cc3[n]5[Re]([n]6ccccc36)(C#[O])(C#[O])([n]3ccc(c6cc7c8cccc[n]8[Re]8([n]7c(c6)c6[n]8cccc6)([n]6ccc(c7cc8[n]9c(c7)c7[n](cccc7)[Re]9([n]7ccc4cc7)([n]4ccccc84)(C#[O])C#[O])cc6)(C#[O])C#[O])cc3)[n]3c(c5c2)cccc3)cc1)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of discrete Re(I) di- and tricarbonyl assemblies using a [4 ×1] directional bonding strategy.
• Authors of publication: Laramée-Milette, Baptiste; Lachance-Brais, Christophe; Hanan, Garry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 41 - 45
• a: 27.917 ± 0.016 Å
• b: 12.514 ± 0.007 Å
• c: 32.083 ± 0.017 Å
• α: 90°
• β: 94.01 ± 0.009°
• γ: 90°
• Cell volume: 11181 ± 11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1474
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2344
• Weighted residual factors for all reflections included in the refinement: 0.2646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No