Information card for entry 4320822

Structure parameters

• Formula: C27 H29 Cl2 Mn N3 O3 P
• Calculated formula: C27 H29 Cl2 Mn N3 O3 P
• Title of publication: A Linear, Four-Spin Mn(II)-Nitronyl-Nitroxide-Substituted Phosphine Oxide System Exhibiting Both Antiferro- and Ferromagnetic Interactions
• Authors of publication: Corinne Rancurel; Daniel B. Leznoff; Jean-Pascal Sutter; Philippe Guionneau; Daniel Chasseau; Janis Kliava; Olivier Kahn
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1602 - 1605
• a: 10.234 ± 0.002 Å
• b: 10.438 ± 0.002 Å
• c: 13.853 ± 0.002 Å
• α: 81.12 ± 0.01°
• β: 79.63 ± 0.01°
• γ: 78.42 ± 0.01°
• Cell volume: 1415.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No