Information card for entry 2207403

Structure parameters

• Common name: (9,20-dichloro-12,17-diphenyl-2,4,13,16-tetraazatricyclo[16.4.0.0^6,11^]docosa- 6,8,10,12,16,18,20,22-octaene-3,4-dionato)nickel(II) methanol hemisolvate
• Chemical name: (9,20-dichloro-12,17-diphenyl-2,4,13,16-tetraazatricyclo[16.4.0.0^6,11^]docosa- 6,8,10,12,16,18,20,22-octaene-3,4-dionato)nickel(II) methanol hemisolvate
• Formula: C30.5 H22 Cl2 N4 Ni O2.5
• Calculated formula: C30.5 H20 Cl2 N4 Ni O2.5
• Title of publication: A new nickel(II) complex with a [14]N4 macrocyclic ligand
• Authors of publication: Yu, Ming; Yang, Guang-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2436 - m2437
• a: 29.869 ± 0.009 Å
• b: 7.268 ± 0.002 Å
• c: 26.307 ± 0.008 Å
• α: 90°
• β: 113.126 ± 0.005°
• γ: 90°
• Cell volume: 5252 ± 3 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: 0.112
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes