Information card for entry 7209749

Structure parameters

• Formula: C65 H44 Cl4 Cr Mn N10 O5
• Calculated formula: C65 H44 Cl4 Cr Mn N10 O5
• SMILES: [Mn]123([OH]C)([N]#C[Cr]456(N(c7c(N4C(=O)c4[n]6cccc4)cccc7)C(=O)c4[n]5cccc4)C#N)[n]4c5=C(c6n1c(C(=c1[n]2c(C(=c2n3c(=C(c4cc5)c3ccc(Cl)cc3)cc2)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1)cc6)c1ccc(Cl)cc1.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: 16.102 ± 0.004 Å
• b: 18.12 ± 0.004 Å
• c: 24.444 ± 0.005 Å
• α: 90°
• β: 99.438 ± 0.004°
• γ: 90°
• Cell volume: 7035 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1894
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No