Information card for entry 1564165

Structure parameters

• Formula: C67 H90 Cl3 Co2 N19 O10
• Calculated formula: C64 H64 Co2 N19 O2
• SMILES: c1[n](c2c(cccc2)n1C)[Co](N=N#[N][Co]([n]1cn(C)c2ccccc12)([OH2])([n]1cn(C)c2ccccc12)([n]1cn(C)c2ccccc12)[n]1cn(C)c2ccccc12)([OH2])([n]1cn(C)c2ccccc12)([n]1cn(C)c2ccccc12)[n]1cn(C)c2ccccc12
• Title of publication: Synthesis and magnetic property of a cobalt complex constructed by a linear Co‒NNN‒Co unit
• Authors of publication: Wang, Min-Min; Wang, Chun; Wang, Miao; Wang, Jin; Zhu, Jin-Li; Hu, Lan-Ping; Sun, Tong-Ming; Tang, Yan-Feng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119804
• a: 16.0083 ± 0.0006 Å
• b: 16.0083 ± 0.0006 Å
• c: 29.6119 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7588.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No