Information card for entry 7202212

Structure parameters

• Formula: C70 H48 Cl2 Co2 N20
• Calculated formula: C70 H48 Cl2 Co2 N20
• SMILES: c12n3c4ccccc4[n]1[Co]14(n5c2[n]([Co]263([n]3c(c7[n]2c2c([nH]7)cccc2)[nH]c2c3cccc2)[n]2c(c3[nH]c7ccccc7[n]63)[nH]c3c2cccc3)c2c5cccc2)([n]2c(c3[n]1c1c([nH]3)cccc1)[nH]c1c2cccc1)[n]1c(c2[nH]c3ccccc3[n]42)[nH]c2c1cccc2.[Cl-].[Cl-]
• Title of publication: A series of metal‒organic complexes constructed from in situ generated organic amines
• Authors of publication: Yang, Qing-Feng; Cui, Xiao-Bing; Yu, Jie-Hui; Lu, Jing; Yu, Xiao-Yang; Zhang, Xiao; Xu, Ji-Qing; Hou, Qin; Wang, Tie-Gang
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 1534
• a: 12.899 ± 0.003 Å
• b: 19.526 ± 0.004 Å
• c: 25.889 ± 0.005 Å
• α: 90°
• β: 94.64 ± 0.03°
• γ: 90°
• Cell volume: 6499 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1804
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No