Information card for entry 4108291

Structure parameters

• Formula: C38 H56 Cl2 N3 O2 Os P
• Calculated formula: C38 H56 Cl2 N3 O2 Os P
• SMILES: [Os]12([P](C(C)C)(C(C)C)C(C)C)([N](c3ccc(cc3)C)=C(C)c3[n]1c(ccc3)C(=[N]2c1ccc(cc1)C)C)(Cl)Cl.O=C(C)C.C(=O)(C)C
• Title of publication: Aromatic Diosmatricyclic Nitrogen-Containing Compounds
• Authors of publication: Miguel A. Esteruelas; Ana B. Masamunt; Montserrat Oliván; Enrique Oñate; Marta Valencia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 11612 - 11613
• a: 10.516 ± 0.005 Å
• b: 34.131 ± 0.015 Å
• c: 11.577 ± 0.005 Å
• α: 90°
• β: 112.927 ± 0.007°
• γ: 90°
• Cell volume: 3827 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0871
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No