Information card for entry 7109352

Structure parameters

• Formula: C47 H51 Cl4 N O2 P4 Rh2
• Calculated formula: C47 H51 Cl4 N O2 P4 Rh2
• SMILES: [Rh]12([Rh]34([P](C[P@@]1(CCC[P@@]2(C[P]3(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(OO4)C#[N]C(C)(C)C)(Cl)Cl.ClCCl
• 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: 29.706 ± 0.015 Å
• b: 14.423 ± 0.007 Å
• c: 11.405 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4886 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No