Information card for entry 7046222

Structure parameters

• Formula: C78 H82 Br2 Mn O11 P6
• Calculated formula: C78 H78 Br2 Mn O11 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: 12.6473 ± 0.0004 Å
• b: 18.3942 ± 0.0007 Å
• c: 18.4505 ± 0.0004 Å
• α: 71.202 ± 0.003°
• β: 83.448 ± 0.002°
• γ: 74.079 ± 0.003°
• Cell volume: 3905.9 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No