Information card for entry 2231732

Structure parameters

• Chemical name: Bis[μ-<i>N</i>'-(2-methyl-1-oxidopropanylidene)-2- oxidobenzohydrazidato]tetrapyridinetrinickel(II)
• Formula: C42 H42 N8 Ni3 O6
• Calculated formula: C42 H42 N8 Ni3 O6
• SMILES: [N]12=C3c4c(O[Ni]1(OC(=[N]2[Ni]1([N]2=C(C(C)C)O[Ni]5([N]2=C(c2c(cccc2)O5)O1)[n]1ccccc1)([n]1ccccc1)([n]1ccccc1)O3)C(C)C)[n]1ccccc1)cccc4
• Title of publication: Bis[μ-<i>N</i>'-(2-methyl-1-oxidopropanylidene)-2-oxidobenzohydrazidato]tetrapyridinetrinickel(II)
• Authors of publication: Chen, Xiao-Hua; Xie, Chun-Ling; Yang, Ming-Xing; Chen, Li-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1308 - m1309
• a: 9.866 ± 0.003 Å
• b: 12.325 ± 0.005 Å
• c: 18.24 ± 0.007 Å
• α: 109.324 ± 0.015°
• β: 96.474 ± 0.013°
• γ: 93.516 ± 0.013°
• Cell volume: 2068.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes