Information card for entry 7209744

Structure parameters

• Formula: C134 H104 Cr2 Mn2 N20 O10
• Calculated formula: C134 H104 Cr2 Mn2 N20 O10
• SMILES: n12c3=C(c4ccc5=C(c6n7[Mn]2([OH]C)([n]45)([OH]C)[n]2c(C(=c1cc3)c1ccccc1)ccc2=C(c1ccccc1)c7cc6)c1ccccc1)c1ccccc1.OC.O.[Mn]123([N]#C[Cr]456(C#N)N(c7c(cc(cc7)C)N4C(=O)c4[n]5cccc4)C(=O)c4[n]6cccc4)([N]#C[Cr]456(C#N)N(c7c(cc(cc7)C)N4C(=O)c4[n]5cccc4)C(=O)c4[n]6cccc4)n4c5=C(c6ccccc6)c6[n]3c(=C(c3n1c(C(=c1[n]2c(C(=c4cc5)c2ccccc2)cc1)c1ccccc1)cc3)c1ccccc1)cc6.OC.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: 12.1273 ± 0.0011 Å
• b: 13.8348 ± 0.0014 Å
• c: 20.0191 ± 0.0018 Å
• α: 73.539 ± 0.006°
• β: 73.108 ± 0.006°
• γ: 70.312 ± 0.006°
• Cell volume: 2961.2 ± 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: 0.1773
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No