Information card for entry 1576540

Structure parameters

• Formula: C73 H71 Cl15 Cu2 N6 O4
• Calculated formula: C73 H71 Cl15 Cu2 N6 O4
• Title of publication: Experimental and theoretical investigations on transition metal and lanthanide containing molecular magnets
• Authors of publication: Hornig, David
• Journal of publication: Dissertation Friedrich Schiller University Jena
• Year of publication: 2015
• Journal volume: 2015
• Pages of publication: 1 - 183
• a: 10.9647 ± 0.0001 Å
• b: 19.2212 ± 0.0003 Å
• c: 19.3245 ± 0.0003 Å
• α: 90°
• β: 105.268 ± 0.001°
• γ: 90°
• Cell volume: 3928.98 ± 0.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133.15 K
• Number of distinct elements: 6
• 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: 0.0529
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No