Information card for entry 8104784

Structure parameters

• Formula: C22 H26 Br2 Mn N5 O4
• Calculated formula: C22 H26 Br2 Mn N5 O4
• Title of publication: The crystal structure of (azido)-κ1 N-6,6′-((cyclohexane-1,2-diylbis(azanylylidene)) bis(methanylylidene))bis(3-bromophenolato- κ 4 N,N,O,O)-(methanol)-manganese(III)–methanol(1/1), C 22 H 26 Br 2 MnN 5 O 4
• Authors of publication: Liu, Dian; Ma, Xun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 623 - 625
• a: 8.0106 ± 0.0004 Å
• b: 14.5925 ± 0.0007 Å
• c: 21.0425 ± 0.0011 Å
• α: 90°
• β: 100.33 ± 0.002°
• γ: 90°
• Cell volume: 2419.9 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No