Information card for entry 2207648

Structure parameters

• Chemical name: [2-phenyl-3,10,18,21-tetraazatetracyclo[20.4.0.0^4,9^.0^12,17^]hexacosa-2,10,12,14,16,22,24,26-octaene-19,20-dionato(2-)]copper(II) methanol solvate
• Formula: C35 H32 N4 Ni O3
• Calculated formula: C35 H32 N4 Ni O3
• SMILES: [Ni]123N4C(=O)C(=O)N1c1ccccc1C(=[N]2[C@@H]1CCCC[C@@H]1[N]3=C(c1ccccc1)c1ccccc41)c1ccccc1.OC
• Title of publication: A new nickel(II) complex, [Ni<i>L</i>]·CH~3~OH, where H~2~<i>L</i> is 2-phenyl-3,10,18,21-tetraazatetracyclo[20.4.0.0^4,9^.0^12,17^]hexacosa-2,10,12,14,16,22,24,26-octaene-19,20-dionate(2{-})
• Authors of publication: Jia, Xue-Qiao; Yang, Guang-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2655 - m2657
• a: 10.179 ± 0.0015 Å
• b: 12.5659 ± 0.0018 Å
• c: 12.8305 ± 0.0019 Å
• α: 71.764 ± 0.002°
• β: 83.782 ± 0.003°
• γ: 73.156 ± 0.002°
• Cell volume: 1491.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes