Information card for entry 2015898

Structure parameters

• Chemical name: (Croconato-κ^2^O,O')bis(1,10-phenanthroline-κ^2^N,N')nickel(II)
• Formula: C29 H16 N4 Ni O5
• Calculated formula: C29 H16 N4 Ni O5
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Ni]24([n]13)(OC1=C(O4)C(=O)C(=O)C1=O)[n]1cccc3c1c1c(cc3)ccc[n]21
• Title of publication: (Croconato-κ^2^<i>O</i>,<i>O</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II), and the nickel(II) and copper(II) analogues
• Authors of publication: Chen, Xia; Chen, Hong-Feng; Xue, Gang; Chen, Hong-Yu; Yu, Wen-Tao; Fang, Qi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m166 - m168
• a: 12.2618 ± 0.0016 Å
• b: 10.929 ± 0.002 Å
• c: 17.171 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2301.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes