Information card for entry 7126995

Structure parameters

• Formula: C38 H43 F12 N5 O3 P2 Ru
• Calculated formula: C38 H43 F12 N5 O3 P2 Ru
• SMILES: [Ru]1234([O]=C(C)C)[n]5c(cccc5C(C)(c5[n]3cccc5)c3[n]4cccc3)C(C)(c3[n]1cccc3)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: A metastable Ru^III azido complex with metallo-Staudinger reactivity.
• Authors of publication: Park, Sungho V.; Fry, Charles G.; Bill, Eckhard; Berry, John F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 73
• Pages of publication: 10738 - 10741
• a: 12.725 ± 0.004 Å
• b: 12.889 ± 0.004 Å
• c: 15.603 ± 0.005 Å
• α: 113.141 ± 0.012°
• β: 91.774 ± 0.015°
• γ: 117.69 ± 0.01°
• Cell volume: 2010.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No