Information card for entry 7109350

Structure parameters

• Formula: C60 H69 Cl2 N O2 P4 Rh2
• Calculated formula: C60 H69 Cl2 N O2 P4 Rh2
• SMILES: [Rh]12([Rh]3([P](C[P@@]1(CCC[P@@]2(C[P]3(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[N]c1c(cccc1C(C)C)C(C)C)(Cl)Cl.O=C(C)C.O=C(C)C
• 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: 13.687 ± 0.005 Å
• b: 14.485 ± 0.006 Å
• c: 29.226 ± 0.011 Å
• α: 90°
• β: 91.683 ± 0.006°
• γ: 90°
• Cell volume: 5792 ± 4 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No