Information card for entry 4082311

Structure parameters

• Formula: C32 H38 Cl2 N2 Rh2
• Calculated formula: C32 H38 Cl2 N2 Rh2
• SMILES: [Rh]12345(Cl)([n]6ccccc6C6[Rh]789%10(Cl)([n]%11c(C1=6)cccc%11)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Isomers of Cyclometalated Macrocycles Constructed through Olefinic C‒H Activation
• Authors of publication: Zhang, Long; Li, Hao; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 587
• a: 8.5691 ± 0.0007 Å
• b: 11.5133 ± 0.001 Å
• c: 16.3558 ± 0.0014 Å
• α: 100.578 ± 0.001°
• β: 95.488 ± 0.001°
• γ: 106.752 ± 0.001°
• Cell volume: 1499.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No