Information card for entry 7056294

Structure parameters

• Formula: C19 H12 Cl3 Mn N2 O8
• Calculated formula: C19 H12 Cl3 Mn N2 O8
• Title of publication: Multifunctionality and size of the chloranilate ligand define the topology of transition metal coordination polymers
• Authors of publication: Androš Dubraja, Lidija; Molcanov, Kresimir; Žilić, Dijana; Kojic-Prodic, Biserka; Wenger, Emmanuel
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 9.9052 ± 0.0002 Å
• b: 8.351 ± 0.0001 Å
• c: 25.7006 ± 0.0005 Å
• α: 90°
• β: 100.503 ± 0.002°
• γ: 90°
• Cell volume: 2090.29 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No