Information card for entry 4345155

Structure parameters

• Formula: C24 H44 B10 Cu F6 N2 O P3 S2
• Calculated formula: C24 H44 B10 Cu F6 N2 O P3 S2
• SMILES: C1CCCO1.CC(C)(C)[P@@]12[C]3456[C]789([BH]%10%113[BH]3%12%13[BH]%145%10[BH]5%106[BH]6%15%16[BH]%177([BH]4856)[BH]3%15([BH]9%11%12%17)[BH]%13%14%10%16)[P@]3(C(C)(C)C)Sc4cccc[n]4[Cu]23[n]2ccccc2S1.F[P]([F-])(F)(F)(F)F.C1CCCO1.CC(C)(C)[P@]12[C]3456[C]789([BH]%10%113[BH]3%12%13[BH]%145%10[BH]5%106[BH]6%15%16[BH]%177([BH]4856)[BH]3%15([BH]9%11%12%17)[BH]%13%14%10%16)[P@@]3(C(C)(C)C)Sc4cccc[n]4[Cu]23[n]2ccccc2S1.F[P]([F-])(F)(F)(F)F
• Title of publication: C2-Symmetric P,N Ligands Derived from Carborane-Based Diphosphetanes: Synthesis and Coordination Chemistry.
• Authors of publication: Coburger, Peter; Schulz, Jan; Klose, Jennifer; Schwarze, Benedikt; Sárosi, Menyhárt B; Hey-Hawkins, Evamarie
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 292 - 304
• a: 10.8533 ± 0.0005 Å
• b: 16.9965 ± 0.0007 Å
• c: 19.5336 ± 0.0009 Å
• α: 90°
• β: 90.089 ± 0.004°
• γ: 90°
• Cell volume: 3603.3 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 9
• 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: 0.1987
• Residual factor for significantly intense reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No