Information card for entry 7046035

Structure parameters

• Formula: C38 H90 B20 Cl6 Mn4 N4 O5
• Calculated formula: C38 H90 B20 Cl6 Mn4 N4 O5
• Title of publication: Three new types of transition metal carboranylamidinate complexes.
• Authors of publication: Rädisch, Tim; Harmgarth, Nicole; Liebing, Phil; Beltrán-Leiva, Maria J; Páez-Hernández, Dayán; Arratia-Pérez, Ramiro; Engelhardt, Felix; Hilfert, Liane; Oehler, Florian; Busse, Sabine; Edelmann, Frank T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 6666 - 6671
• a: 10.7605 ± 0.0004 Å
• b: 19.0431 ± 0.0007 Å
• c: 16.0549 ± 0.0006 Å
• α: 90°
• β: 92.892 ± 0.003°
• γ: 90°
• Cell volume: 3285.7 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No