Information card for entry 7209746

Structure parameters

• Formula: C134 H104 Cr2 Mn2 N20 O10
• Calculated formula: C134 H104 Cr2 Mn2 N20 O10
• SMILES: [Cr]123(N(C(=O)c4[n]3cccc4)c3ccccc3N1C(=O)c1[n]2cccc1)(C#[N][Mn]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c1ccccc1)c4cc5)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)[N]#C[Cr]123(N(c4ccccc4N1C(=O)c1[n]2cccc1)C(=O)c1[n]3cccc1)C#N)C#N.[Mn]123([OH]C)([OH]C)n4c5C(=c6[n]3c(C(=c3n2c(=C(c2[n]1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1.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: 15.0924 ± 0.0007 Å
• b: 19.7862 ± 0.0009 Å
• c: 21.0071 ± 0.0011 Å
• α: 70.461 ± 0.003°
• β: 81.22 ± 0.003°
• γ: 88.865 ± 0.003°
• Cell volume: 5839.4 ± 0.5 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: 0.0635
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No