Information card for entry 2212708

Structure parameters

• Chemical name: {1,3-Bis(3,4,5-trimethoxybenzyl)-3,4,5,6-tetrahydropyrimidin-2- ylidene}chloro(η^4^-cycloocta-1,5-diene)rhodium(I)
• Formula: C32 H44 Cl N2 O6 Rh
• Calculated formula: C32 H44 Cl N2 O6 Rh
• SMILES: [Rh]123(Cl)(=C4N(CCCN4Cc4cc(OC)c(OC)c(OC)c4)Cc4cc(OC)c(OC)c(OC)c4)[CH]4CC[CH]1=[CH]2CC[CH]3=4
• Title of publication: {1,3-Bis(3,4,5-trimethoxybenzyl)-3,4,5,6-tetrahydropyrimidin-2-ylidene}chloro(η^4^-cycloocta-1,5-diene)rhodium(I)
• Authors of publication: Arslan, Hakan; VanDerveer, Don; Özdemir, İsmail; Demir, Serpil; Çetinkaya, Bekir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m770 - m771
• a: 10.175 ± 0.002 Å
• b: 22.289 ± 0.004 Å
• c: 13.947 ± 0.003 Å
• α: 90°
• β: 97.57 ± 0.03°
• γ: 90°
• Cell volume: 3135.5 ± 1.1 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes