Information card for entry 7209747

Structure parameters

• Formula: C134 H108 Co2 Mn2 N20 O12
• Calculated formula: C134 H108 Co2 Mn2 N20 O12
• SMILES: C(#N)[Co]123(C#[N][Mn]456(n7c8=C(c9ccccc9)c9[n]5c(=C(c5ccccc5)c5n6c(cc5)C(=c5[n]4c(cc5)C(=c7cc8)c4ccccc4)c4ccccc4)cc9)[N]#C[Co]456(C#N)N(c7c(cc(cc7)C)N4C(=O)c4[n]5cccc4)C(=O)c4[n]6cccc4)N(c4c(cc(C)cc4)N1C(=O)c1[n]2cccc1)C(=O)c1[n]3cccc1.[OH](C)[Mn]123(n4c5=C(c6[n]1c(=C(c1ccc(C(=c7[n]2c(cc7)C(=c4cc5)c2ccccc2)c2ccccc2)n31)c1ccccc1)cc6)c1ccccc1)[OH]C.OC.OC.O.O.O.O
• 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: 12.0132 ± 0.0018 Å
• b: 13.8829 ± 0.0019 Å
• c: 19.838 ± 0.003 Å
• α: 72.979 ± 0.002°
• β: 73.582 ± 0.002°
• γ: 70.255 ± 0.002°
• Cell volume: 2914.9 ± 0.7 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: 0.1117
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2041
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No