Information card for entry 7701357

Structure parameters

• Formula: C56 H57 Cl I Mn N3 O4 P4
• Calculated formula: C56 H57 Cl I Mn N3 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: 11.2811 ± 0.0007 Å
• b: 17.899 ± 0.0009 Å
• c: 14.2259 ± 0.0008 Å
• α: 90°
• β: 109.443 ± 0.006°
• γ: 90°
• Cell volume: 2708.7 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No