Information card for entry 7020089

Structure parameters

• Formula: C88 H68 Cl2 P4 Rh2
• Calculated formula: C88 H68 Cl2 P4 Rh2
• SMILES: [C]123=[C]45[Rh]1([P](c1ccccc1)(c1c3cccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1[C]12=[C]24c3c([P](c4ccccc4)(c4ccccc4)[Rh]12([P](c1ccccc1)(c1ccccc51)c1ccccc1)Cl)cccc3)c1ccccc1)Cl.c1ccccc1.c1ccccc1
• Title of publication: Alkyne-coordinating tridentate ligands: structural properties and reactivity of their rhodium complexes.
• Authors of publication: Okamoto, Kazuhiro; Omoto, Yusuke; Sano, Hayato; Ohe, Kouichi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 10926 - 10929
• a: 11.81 ± 0.004 Å
• b: 12.102 ± 0.004 Å
• c: 13.653 ± 0.004 Å
• α: 66.667 ± 0.009°
• β: 72.108 ± 0.011°
• γ: 86.21 ± 0.014°
• Cell volume: 1701.7 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.2355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No