Information card for entry 4343113

Structure parameters

• Formula: C42 H69.3 Mn N2 O5.15 Si2
• Calculated formula: C42 H69.3 Mn N2 O5.15 Si2
• Title of publication: Charge and Spin States in Schiff Base Metal Complexes with a Disiloxane Unit Exhibiting a Strong Noninnocent Ligand Character: Synthesis, Structure, Spectroelectrochemistry, and Theoretical Calculations.
• Authors of publication: Cazacu, Maria; Shova, Sergiu; Soroceanu, Alina; Machata, Peter; Bucinsky, Lukas; Breza, Martin; Rapta, Peter; Telser, Joshua; Krzystek, J.; Arion, Vladimir B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5691 - 5706
• a: 15.3998 ± 0.0013 Å
• b: 21.477 ± 0.002 Å
• c: 22.0129 ± 0.0018 Å
• α: 109.04 ± 0.008°
• β: 95.545 ± 0.007°
• γ: 98.303 ± 0.007°
• Cell volume: 6729.2 ± 1.1 ų
• Cell temperature: 200.05 ± 0.1 K
• Ambient diffraction temperature: 200.05 ± 0.1 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: 0.2157
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2195
• Weighted residual factors for all reflections included in the refinement: 0.276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No