Information card for entry 7015215

Structure parameters

• Formula: C44 H52 Cl6 N2 O2 Rh2
• Calculated formula: C44 H52 Cl6 N2 O2 Rh2
• SMILES: c1c2c(C=[N](c3ccc(cc3)OC)[Rh]34562([c]2([c]3([c]4([c]5([c]62C)C)C)C)C)Cl)cc2c1C=[N](c1ccc(cc1)OC)[Rh]13452([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Bis-imine-cyclometalated macrocycles: synthesis, characterization and observation of solution behaviour.
• Authors of publication: Li, Hao; Han, Ying-Feng; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4982 - 4993
• a: 16.297 ± 0.007 Å
• b: 10.25 ± 0.004 Å
• c: 14.028 ± 0.006 Å
• α: 90°
• β: 105.111 ± 0.005°
• γ: 90°
• Cell volume: 2262.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No