Information card for entry 4067778

Structure parameters

• Formula: C38 H46 Cl8 N2 O2 Rh2
• Calculated formula: C38 H46 Cl8 N2 O2 Rh2
• SMILES: C12=[O][Rh]3456([c]7([c]6([c]5([c]4([c]37C)C)C)C)C)(N(C1=[O][Rh]1345([c]6([c]5([c]4([c]3([c]16C)C)C)C)C)(N2c1ccc(cc1)C)Cl)c1ccc(cc1)C)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: [2+2] Photodimerization in the Solid State Aided by Molecular Templates of Rectangular Macrocycles Bearing Oxamidato Ligands
• Authors of publication: Zhang, Wan-Zheng; Han, Ying-Feng; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2842
• a: 8.577 ± 0.003 Å
• b: 11.861 ± 0.004 Å
• c: 11.888 ± 0.004 Å
• α: 98.828 ± 0.004°
• β: 102.2 ± 0.004°
• γ: 107.769 ± 0.004°
• Cell volume: 1094.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No