Information card for entry 4080153

Structure parameters

• Common name: (Me-PNP-iPr)RhCl
• Formula: C26 H40 Cl N P2 Rh
• Calculated formula: C26 H40 Cl N P2 Rh
• SMILES: c12ccc(cc1[P](C(C)C)(C(C)C)[Rh]1(N2c2ccc(cc2[P]1(C(C)C)C(C)C)C)Cl)C
• Title of publication: Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen
• Authors of publication: Smith, Dan A.; Herbert, David E.; Walensky, Justin R.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 2050
• a: 11.506 ± 0.004 Å
• b: 9.706 ± 0.004 Å
• c: 18.323 ± 0.005 Å
• α: 90°
• β: 127.603 ± 0.014°
• γ: 90°
• Cell volume: 1621.2 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No