Information card for entry 7209748

Structure parameters

• Formula: C68 H52 Cl4 Co Mn N10 O6
• Calculated formula: C68 H52 Cl4 Co Mn N10 O6
• SMILES: [Co]123(N(c4c(N1C(=O)c1[n]3cccc1)cccc4)C(=O)c1[n]2cccc1)(C#N)C#[N][Mn]123([OH]C)[n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccc(Cl)cc1)cc2)c1ccc(cc1)Cl)cc3)c1ccc(cc1)Cl)cc6)c1ccc(cc1)Cl.OC.OC.OC
• Title of publication: Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties
• Authors of publication: Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2504
• a: 15.9553 ± 0.0014 Å
• b: 17.9118 ± 0.0016 Å
• c: 24.897 ± 0.002 Å
• α: 90°
• β: 99.081 ± 0.005°
• γ: 90°
• Cell volume: 7026.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No