Information card for entry 4316200

Structure parameters

• Formula: C16 H42 Cl2 N5 O13 Rh
• Calculated formula: C16 H38 Cl2 N5 O13 Rh
• SMILES: [Rh]123([NH]4CC[NH]1[C@@H](C)CC(C)(C)[NH]2CC[NH]3[C@H](C)CC4(C)C)(N(=O)=O)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.[Rh]123([NH]4CC[NH]1[C@H](C)CC(C)(C)[NH]2CC[NH]3[C@@H](C)CC4(C)C)(N(=O)=O)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Preparation, Crystal Structure, and Unusually Facile Redox Chemistry of a Macrocyclic Nitrosylrhodium Complex
• Authors of publication: Kathleen E. Kristian; Wenjing Song; Arkady Ellern; Ilia A. Guzei; Andreja Bakac
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7182 - 7187
• a: 10.627 ± 0.004 Å
• b: 19.052 ± 0.007 Å
• c: 13.751 ± 0.005 Å
• α: 90°
• β: 94.022 ± 0.004°
• γ: 90°
• Cell volume: 2777.2 ± 1.8 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No