Information card for entry 7046220

Structure parameters

• Formula: C89.5 H80.25 Br4 Mn2 N2.75 O6 P6
• Calculated formula: C89.5 H80.25 Br4 Mn2 N2.75 O6 P6
• Title of publication: "Two-in-one" organic-inorganic hybrid Mn^II complexes exhibiting dual-emissive phosphorescence.
• Authors of publication: Berezin, Alexey S.; Samsonenko, Denis G.; Brel, Valery K.; Artem'ev, Alexander V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 21
• Pages of publication: 7306 - 7315
• a: 14.9083 ± 0.0003 Å
• b: 28.8164 ± 0.0005 Å
• c: 22.3826 ± 0.0004 Å
• α: 90°
• β: 100.503 ± 0.0018°
• γ: 90°
• Cell volume: 9454.5 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No