Information card for entry 1548389

Structure parameters

• Formula: C50 H51 Co3 F12 N15 O P2
• Calculated formula: C50 H51 Co3 F12 N15 O P2
• SMILES: c1cccc2[n]1[Co]134([n]5ccccc5N5c6cccc[n]6[Co]678([n]9c(cccc9)N2[Co]458(N(c2cccc[n]12)c1cccc[n]61)N(c1cccc[n]31)c1cccc[n]71)[N]#CC)[N]#CC.C(#N)C.CCOCC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Enantiomeric resolution and X-ray optical activity of a tricobalt extended metal atom chain.
• Authors of publication: Srinivasan, Anandi; Cortijo, Miguel; Bulicanu, Vladimir; Naim, Ahmad; Clérac, Rodolphe; Sainctavit, Philippe; Rogalev, Andrei; Wilhelm, Fabrice; Rosa, Patrick; Hillard, Elizabeth A.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1136 - 1143
• a: 11.7226 ± 0.0009 Å
• b: 21.8073 ± 0.0017 Å
• c: 12.0149 ± 0.0009 Å
• α: 90°
• β: 112.115 ± 0.003°
• γ: 90°
• Cell volume: 2845.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No