Information card for entry 7056295

Structure parameters

• Formula: C32 H22 Cl2 N4 Ni O5
• Calculated formula: C32 H22 Cl2 N4 Ni O5
• 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: 12.3913 ± 0.0003 Å
• b: 15.4738 ± 0.0003 Å
• c: 16.4123 ± 0.0002 Å
• α: 90°
• β: 112.604 ± 0.002°
• γ: 90°
• Cell volume: 2905.17 ± 0.11 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No