Information card for entry 2213706

Structure parameters

• Chemical name: Di-μ~2~-acetato-bis{μ~2~-1,1'-[propane-1,3-diylbis(nitrilomethylidyne)]di- 2-naphtholato}tricobalt(II)
• Formula: C54 H46 Co3 N4 O8
• Calculated formula: C54 H46 Co3 N4 O8
• SMILES: [N]12=Cc3c([O]4[Co]562[N](=Cc2c([O]5[Co]574([O]4c8c(c9ccccc9cc8)C=[N]8CCC[N]9=Cc%10c([O]5[Co]489[O]=C(O7)C)ccc4ccccc%104)[O]=C(O6)C)ccc4ccccc24)CCC1)ccc1ccccc31
• Title of publication: Di-μ~2~-acetato-bis{μ~2~-1,1'-[propane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}tricobalt(II)
• Authors of publication: Yun-Peng Diao; Shan-Shan Huang; Hou-Li Zhang; Sa Deng; Ke-Xin Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1694 - m1694
• a: 11.77 ± 0.003 Å
• b: 11.765 ± 0.004 Å
• c: 16.137 ± 0.003 Å
• α: 90°
• β: 90.61 ± 0.02°
• γ: 90°
• Cell volume: 2234.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes