Information card for entry 7056296

Structure parameters

• Formula: C36 H30 Cl4 N6 Ni2 O4
• Calculated formula: C36 H30 Cl4 N6 Ni2 O4
• 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: 9.1303 ± 0.0002 Å
• b: 14.5345 ± 0.0004 Å
• c: 16.2519 ± 0.0004 Å
• α: 111.927 ± 0.002°
• β: 101.346 ± 0.002°
• γ: 91.831 ± 0.002°
• Cell volume: 1948.36 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No