Information card for entry 7701358

Structure parameters

• Chemical name: Complex of manganese(II) bromide with [(dimethylamino)methylene] bis(diphenylphosphine oxide)
• Formula: C54 H54 Br2 Mn N2 O4 P4
• Calculated formula: C54 H54 Br2 Mn N2 O4 P4
• Title of publication: Luminescence of Mn2+ ion in non-Oh and Td coordination environments: the missing case of square-pyramid
• Authors of publication: Artem'ev, Alexander; Davydova, Maria; Berezin, Alexey S.; Brel, Valery K.; Morgalyuk, Vasilii; Bagryanskaya, Irina Yu.; Samsonenko, Denis G.
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 14.136 ± 0.0013 Å
• b: 14.4046 ± 0.001 Å
• c: 14.9017 ± 0.0013 Å
• α: 63.853 ± 0.003°
• β: 86.986 ± 0.004°
• γ: 84.516 ± 0.004°
• Cell volume: 2711.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1104
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2297
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No