Information card for entry 2243927

Structure parameters

• Chemical name: (Acetato-κ<i>O</i>)[2-hydroxy-<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>](methanol-κ<i>O</i>)manganese(II) tetraphenylborate methanol monosolvate
• Formula: C50 H52 B Mn N3 O5
• Calculated formula: C50 H52 B Mn N3 O5
• 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: 10.3504 ± 0.0003 Å
• b: 17.4824 ± 0.0005 Å
• c: 23.9618 ± 0.0009 Å
• α: 90°
• β: 96.222 ± 0.003°
• γ: 90°
• Cell volume: 4310.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0832
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes