Information card for entry 4323458

Structure parameters

• Formula: C34 H28 Fe2 N2
• Calculated formula: C34 H28 Fe2 N2
• SMILES: c1c(c2cc(ccn2)/C=C/[c]23[cH]4[cH]5[Fe]6789%1024([cH]5[cH]36)[cH]2[cH]7[cH]8[cH]9[cH]%102)nccc1/C=C/[c]12[Fe]3456789([cH]%10[cH]3[cH]4[cH]8[cH]9%10)[cH]1[cH]5[cH]6[cH]27
• Title of publication: Synthesis, Characterization, and Electrochemistry of Heterometallic Dendrimers
• Authors of publication: Sudhir Achar; Chad E. Immoos; Michael G. Hill; Vincent J. Catalano
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2314 - 2320
• a: 11.78 ± 0.003 Å
• b: 10.662 ± 0.003 Å
• c: 11.642 ± 0.003 Å
• α: 90°
• β: 118.61 ± 0.02°
• γ: 90°
• Cell volume: 1283.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections: 0.1442
• Weighted residual factors for significantly intense reflections: 0.1116
• Goodness-of-fit parameter for all reflections: 0.999
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No