Information card for entry 7023301

Structure parameters

• Formula: C42 H56 B2 F18 N18 P3 Rh S6
• Calculated formula: C42 H56 B2 F18 N18 P3 Rh S6
• SMILES: c1cc(cc[n]1[B]12N3C(N(C)C=C3)=[S][Rh]34([S]=C5N2C=CN5C)([S]=C2N([B]([n]5ccc(cc5)N(C)C)(N5C(N(C)C=C5)=[S]4)N4C(N(C)C=C4)=[S]3)C=CN2C)[S]=C2N1C=CN2C)N(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C.[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: Homoleptic 'sandwich' complexes of substituted tris(methimazolyl)borate ligands with ruthenium, rhodium and palladium.
• Authors of publication: Bailey, Philip J.; Bell, Nicola L.; Nichol, Gary S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 31
• Pages of publication: 11281 - 11294
• a: 9.7354 ± 0.0003 Å
• b: 9.9613 ± 0.0003 Å
• c: 16.6355 ± 0.0007 Å
• α: 99.986 ± 0.003°
• β: 91.995 ± 0.003°
• γ: 90.774 ± 0.003°
• Cell volume: 1587.55 ± 0.1 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No