Information card for entry 7229772

Structure parameters

• Formula: C20 H22 Cl2 N2 Ni O4
• Calculated formula: C20 H22 Cl2 N2 Ni O4
• Title of publication: Testing the limits of halogen bonding in coordination chemistry
• Authors of publication: Borovina, Mladen; Kodrin, Ivan; Đaković, Marijana
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 539
• a: 9.1894 ± 0.0002 Å
• b: 9.987 ± 0.0003 Å
• c: 13.4819 ± 0.0005 Å
• α: 73.422 ± 0.003°
• β: 71.424 ± 0.003°
• γ: 85.191 ± 0.002°
• Cell volume: 1124.05 ± 0.06 ų
• Cell temperature: 296 ± 3 K
• Ambient diffraction temperature: 296.15 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: 0.0438
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No