Information card for entry 7002276

Structure parameters

• Formula: C70.5 H104.5 I4 N23.5 O11.5 Sm2
• Calculated formula: C70.5 H104.5 I4 N23.5 O11.5 Sm2
• Title of publication: First reductive dimerization of a polycyclic azine
• Authors of publication: Berthet, Jean-Claude; Thuéry, Pierre; Baudin, Cécile; Boizot, Bruno; Ephritikhine, Michel
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7613 - 7616
• a: 12.9092 ± 0.0003 Å
• b: 14.1646 ± 0.0006 Å
• c: 25.1108 ± 0.0011 Å
• α: 85.764 ± 0.002°
• β: 89.355 ± 0.003°
• γ: 80.132 ± 0.002°
• Cell volume: 4511.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No