Information card for entry 1515102

Structure parameters

• Formula: C70 H58 Cl2 Cr F6 N10 P
• Calculated formula: C70 H58 Cl2 Cr F6 N10 P
• SMILES: [Cr]123(Cl)(Cl)=C4N5CCN6C=2N(CN2C=1N(CCN1C=3N(CN4C(=C5c3ccccc3)c3ccccc3)C(=C1c1ccccc1)c1ccccc1)C(=C2c1ccccc1)c1ccccc1)c(c6c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Exploiting a dimeric silver transmetallating reagent to synthesize macrocyclic tetracarbene complexes
• Authors of publication: Lu, Zheng; Cramer, S. Alan; Jenkins, David M.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 3081
• a: 12.1931 ± 0.0013 Å
• b: 13.7529 ± 0.0015 Å
• c: 18.886 ± 0.002 Å
• α: 90°
• β: 91.471 ± 0.001°
• γ: 90°
• Cell volume: 3166 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No