Information card for entry 4107363

Structure parameters

• Formula: C100 H72 Mn2 N8 O6 P2
• Calculated formula: C100 H72 Mn2 N8 O6 P2
• Title of publication: The Canted Antiferromagnetic Approach to Single-Chain Magnets
• Authors of publication: Kevin Bernot; Javier Luzon; Roberta Sessoli; Alessandro Vindigni; Julien Thion; Sébastien Richeter; Dominique Leclercq; Joulia Larionova; Arie van der Lee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1619 - 1627
• a: 23.176 ± 0.001 Å
• b: 13.167 ± 0.0008 Å
• c: 12.921 ± 0.0008 Å
• α: 90°
• β: 90.623 ± 0.004°
• γ: 90°
• Cell volume: 3942.7 ± 0.4 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No