Information card for entry 7056299

Structure parameters

• Formula: C38 H22 Cl4 Mn2 N4 O9
• Calculated formula: C38 H22 Cl4 Mn2 N4 O9
• 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: 14.2239 ± 0.0004 Å
• b: 14.4704 ± 0.0004 Å
• c: 20.2197 ± 0.0006 Å
• α: 90°
• β: 103.441 ± 0.003°
• γ: 90°
• Cell volume: 4047.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No