Information card for entry 7209745

Structure parameters

• Formula: C134 H104 Co2 Mn2 N20 O10
• Calculated formula: C134 H104 Co2 Mn2 N20 O10
• SMILES: [Co]123(N(c4c(N1C(=O)c1[n]3cccc1)cccc4)C(=O)c1[n]2cccc1)(C#[N][Mn]123(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)[N]#C[Co]123(N(c4c(N1C(=O)c1[n]2cccc1)cccc4)C(=O)c1[n]3cccc1)C#N)C#N.[Mn]123([OH]C)([OH]C)[n]4c5=C(c6ccccc6)c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6.OC.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: 15.0704 ± 0.0004 Å
• b: 19.5784 ± 0.0005 Å
• c: 20.9873 ± 0.0006 Å
• α: 70.3 ± 0.001°
• β: 80.675 ± 0.001°
• γ: 87.877 ± 0.001°
• Cell volume: 5751.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No