Information card for entry 7051770

Structure parameters

• Formula: C116 H84 F12 N22 P2 Ru
• Calculated formula: C116 H84 F12 N22 P2 Ru
• Title of publication: Post-coordination functionalisation of pyrazolyl-based ligands as a route to polynuclear complexes based on an inert RuIIN6 core
• Authors of publication: Wei, Qiao-Hua; Argent, Stephen P.; Adams, Harry; Ward, Michael D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 73
• a: 27.3364 ± 0.0011 Å
• b: 15.9057 ± 0.0006 Å
• c: 24.5589 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10678.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No