Information card for entry 7102013

Structure parameters

• Formula: C30 H38 F12 N14 O4 P2 Ru
• Calculated formula: C30 H38 F12 N14 O4 P2 Ru
• SMILES: [Ru]1234([n]5nn(cc5c5[n]1c(c1cn(n[n]21)CCCO)ccc5)CCCO)[n]1nn(cc1c1[n]3c(c2cn(n[n]42)CCCO)ccc1)CCCO.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Can terdentate 2,6-bis(1,2,3-triazol-4-yl)pyridines form stable coordination compounds?
• Authors of publication: Li, Yongjun; Huffman, John C; Flood, Amar H
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 26
• Pages of publication: 2692 - 2694
• a: 12.2491 ± 0.0008 Å
• b: 23.2119 ± 0.0015 Å
• c: 14.9526 ± 0.001 Å
• α: 90°
• β: 108.375 ± 0.002°
• γ: 90°
• Cell volume: 4034.6 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0512
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No