Information card for entry 4071476

Structure parameters

• Common name: in_paper_10
• Formula: C28 H51 Cl2 N3 Rh2
• Calculated formula: C28 H51 Cl2 N3 Rh2
• SMILES: [Rh]12345([N]6(C(C)C)CC[NH]1CC[N]2(CC6)C(C)C)[CH]1=[CH]5CC[CH]4=[CH]3CC1.[Rh]123(Cl)(Cl)[CH]4=[CH]3CC[CH]2=[CH]1CC4
• Title of publication: Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts
• Authors of publication: Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 2852
• a: 8.575 ± 0.0001 Å
• b: 19.68 ± 0.0003 Å
• c: 19.295 ± 0.0004 Å
• α: 90°
• β: 115.481 ± 0.001°
• γ: 90°
• Cell volume: 2939.42 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No