Information card for entry 7008061

Structure parameters

• Formula: C33 H38 Cl F6 K0 N2 Na O13 P Re
• Calculated formula: C33 H34 Cl F6 N2 Na O13 P Re
• SMILES: c1ccc2c3c4[n](cccc4c4c2OCC[O]([Na]2567([OH2])[OH2])CC[O]2CC[O]5c2c([O]6CC[O]7CCOCCO4)cccc2)[Re]([n]13)(C#[O])(C#[O])(C#[O])Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescent complexes of Re(I) and Ru(II) with appended macrocycle groups derived from 5,6-dihydroxyphenanthroline: cation and anion binding.
• Authors of publication: Lazarides, Theodore; Miller, Thomas A.; Jeffery, John C.; Ronson, Tanya K.; Adams, Harry; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 3
• Pages of publication: 528 - 536
• a: 17.908 ± 0.004 Å
• b: 17.748 ± 0.004 Å
• c: 27.982 ± 0.006 Å
• α: 90°
• β: 95.7 ± 0.03°
• γ: 90°
• Cell volume: 8850 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• 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: 0.1384
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No