Information card for entry 8105358

Structure parameters

• Chemical name: Crystal constructure of bis(3-chlorosalicylidene)-1,2-propanediamine)-nickel(ii), C~16~H~14~Br~2~NiN~2~O~2~
• Formula: C16 H12 Br2 N2 Ni O2
• Calculated formula: C16 H12 Br2 N2 Ni O2
• Title of publication: Crystal structure of bis((3-bromosalicylidene)-ethylenediaminato-κ4 N,N′,O,O′) nickel (II), C16H12Br2NiN2O2
• Authors of publication: Xiao, Jianchang; Zhou, Cun; Xindi, Xu; Lei, Hua; Wu, Qiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 999 - 1000
• a: 11.7989 ± 0.0009 Å
• b: 11.9007 ± 0.0007 Å
• c: 12.7164 ± 0.0017 Å
• α: 90°
• β: 119.779 ± 0.007°
• γ: 90°
• Cell volume: 1549.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No