Information card for entry 7046219

Structure parameters

• Formula: C78 H78 Cl4 Mn2 O9 P6
• Calculated formula: C78 H78 Cl4 Mn2 O9 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: 13.2413 ± 0.0002 Å
• b: 19.5421 ± 0.0004 Å
• c: 29.2641 ± 0.0006 Å
• α: 90°
• β: 92.638 ± 0.002°
• γ: 90°
• Cell volume: 7564.4 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No