Information card for entry 2238974

Structure parameters

• Chemical name: [μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]
• Formula: C33 H56 Br2 N4 Rh2
• Calculated formula: C33 H56 Br2 N4 Rh2
• SMILES: [Rh]123(Br)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(CCCN1CCCN1CCCN(C1=[Rh]123(Br)[CH]4=[CH]1CC[CH]2=[CH]3CC4)C(C)C)C(C)C
• Title of publication: [μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)]
• Authors of publication: Pawar, Gajanan Manohar; Wurst, Klaus; Wang, Dongren; Buchmeiser, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: m71 - m72
• a: 16.4075 ± 0.0002 Å
• b: 15.7975 ± 0.0003 Å
• c: 27.1065 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7025.94 ± 0.19 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes