Information card for entry 7109351

Structure parameters

• Formula: C60 H64.5 Cl2 N5.5 O2 P4 Rh2
• Calculated formula: C59 H63 Cl2 N5 O2 P4 Rh2
• SMILES: [Rh]12([Rh]34(C#[N]c5c(cc(cc5C)C)C)([P](C[P@]1(CCC[P@]2(C[P]3(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)OO4)(Cl)Cl.N#CC.N#CC.N#CC.N#CC
• Title of publication: Reversible dioxygen binding on asymmetric dinuclear rhodium centres
• Authors of publication: Takayuki Nakajima; Miyuki Sakamoto; Sachi Kurai; Bunsho Kure; Tomoaki Tanase
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5250
• a: 12.604 ± 0.006 Å
• b: 12.861 ± 0.005 Å
• c: 20.226 ± 0.009 Å
• α: 73.94 ± 0.007°
• β: 80.98 ± 0.006°
• γ: 74.474 ± 0.007°
• Cell volume: 3024 ± 2 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No