Information card for entry 4085692

Structure parameters

• Chemical name: [T-4-S]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-talopyranoside)-pentamethyl-pentahapto-cyclopentadienylrhodium(III) tetrafluoridoborate bisdichloromethane
• Formula: C26 H39 B Cl5 F4 N2 O4 Rh
• Calculated formula: C26 H39 B Cl5 F4 N2 O4 Rh
• SMILES: [Rh]12345(Cl)([NH2][C@@H]6[C@H](O[C@H]7[C@H](O[C@H](OC7)c7ccccc7)[C@@H]6[NH2]1)OC)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes
• Authors of publication: Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1507
• a: 12.7327 ± 0.0001 Å
• b: 12.8528 ± 0.0001 Å
• c: 20.4257 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3342.68 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.067
• 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