Information card for entry 2243926

Structure parameters

• Chemical name: Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[2-methoxy-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)ethanamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]manganese(II)} bis(tetraphenylborate) dichloromethane 1.45-solvate
• Formula: C99.45 H94.9 B2 Cl2.9 Mn2 N6 O6
• Calculated formula: C99.452 H94.904 B2 Cl2.904 Mn2 N6 O6
• Title of publication: Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands
• Authors of publication: Frey, Steven T.; Ballot, Jasper G.; Hands, Allison; Cirka, Haley A.; Rinaolo, Katheryn C.; Phalkun, Nich N.; Kaur, Manpreet; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• Pages of publication: 982 - 988
• a: 11.6553 ± 0.0005 Å
• b: 13.6846 ± 0.0007 Å
• c: 16.1109 ± 0.0006 Å
• α: 96.842 ± 0.004°
• β: 105.959 ± 0.003°
• γ: 111.907 ± 0.004°
• Cell volume: 2220.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes