Information card for entry 4082787

Structure parameters

• Formula: C61 H66 Cl4 N10 Ni O9 Rh2
• Calculated formula: C60 H58 Cl4 N8 Ni Rh2
• SMILES: [Rh]1234(Cl)(Cl)([n]5ccc(c6cc7[n]8[Ni]9%10([n]%11ccccc7%11)([n]7c(c8c6)cccc7)[n]6ccccc6c6[n]9c(cc(c6)c6cc[n]([Rh]789%11(Cl)(Cl)[c]%12([c]7([c]8([c]9([c]%11%12C)C)C)C)C)cc6)c6[n]%10cccc6)cc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Box-like Heterometallic Macrocycles Derived from Bis-Terpyridine Metalloligands
• Authors of publication: Liu, Jing-Jing; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 5
• Pages of publication: 1283
• a: 53.4454 ± 0.0009 Å
• b: 8.8419 ± 0.0002 Å
• c: 33.77 ± 0.0006 Å
• α: 90°
• β: 112.029 ± 0.001°
• γ: 90°
• Cell volume: 14793.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No