Information card for entry 4342233

Structure parameters

• Formula: C55 H53 Cl7 F6 N2 O2 P3 Rh
• Calculated formula: C55 H53 Cl7 F6 N2 O2 P3 Rh
• SMILES: [Rh]1234(Cl)([P](c5ccc6c([nH]c(=O)cc6)c5)(c5ccccc5)c5ccccc5)([P](c5ccc6c([nH]c(=O)cc6)c5)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl.ClCCl
• Title of publication: Design, Synthesis, and Characterization of Hybrid Metal-Ligand Hydrogen-Bonded (MLHB) Supramolecular Architectures.
• Authors of publication: Sommer, Samantha K.; Zakharov, Lev N.; Pluth, Michael D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1912 - 1918
• a: 12.4931 ± 0.0017 Å
• b: 15.48 ± 0.002 Å
• c: 15.839 ± 0.002 Å
• α: 90.066 ± 0.002°
• β: 102.854 ± 0.002°
• γ: 111.085 ± 0.002°
• Cell volume: 2775.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0892
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No