Information card for entry 4104900

Structure parameters

• Formula: C12 H36 Cl8 N8 O2 Rh2 Zn
• Calculated formula: C12 H36 Cl8 N8 O2 Rh2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Rh]123(Cl)(Cl)[N](CC[NH2]1)(CC[NH2]2)CC[NH2]3.[Rh]123(Cl)(Cl)[N](CC[NH2]1)(CC[NH2]2)CC[NH2]3.O.O
• Title of publication: Characteristic Spin-Orbit Induced 1H(CH2) Chemical Shifts upon Deprotonation of Group 9 Polyamine Aqua and Alcohol Complexes
• Authors of publication: Marja Hyvärinen; Juha Vaara; Anna Goldammer; Barbara Kutzky; Kaspar Hegetschweiler; Martin Kaupp; Michal Straka
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 11909 - 11918
• a: 7.115 ± 0.001 Å
• b: 20.084 ± 0.004 Å
• c: 20.49 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2928 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No