Information card for entry 4085691

Structure parameters

• Chemical name: [T-4-R]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-gulopyranoside)-pentamethyl-pentahapto-cyclopentadienylrhodium(III) tetrafluoridoborate acetone
• Formula: C27 H41 B Cl F4 N2 O5 Rh
• Calculated formula: C27 H41 B Cl F4 N2 O5 Rh
• SMILES: [Rh]12345(Cl)([c]6([c]1([c]2([c]3([c]46C)C)C)C)C)[NH2][C@H]1[C@@H](OC)O[C@H]2[C@H](O[C@H](OC2)c2ccccc2)[C@H]1[NH2]5.[B](F)(F)(F)[F-].O=C(C)C
• 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: 8.5697 ± 0.0004 Å
• b: 15.5205 ± 0.0007 Å
• c: 23.1856 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3083.8 ± 0.2 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: 0.0673
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No