Information card for entry 2216873

Structure parameters

• Chemical name: Bis(4'-chloro-2,2':6',2''-terpyridine-κ^3^N,N',N'')iron(II) dinitrate dihydrate
• Formula: C30 H24 Cl2 Fe N8 O8
• Calculated formula: C30 H24 Cl2 Fe N8 O8
• SMILES: c1(cc2[n]3[Fe]45([n]6c(c7[n]4cccc7)cc(Cl)cc6c4[n]5cccc4)([n]4ccccc24)[n]2ccccc2c3c1)Cl.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Bis(4'-chloro-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')iron(II) dinitrate dihydrate
• Authors of publication: You, Wei; Yang, Xue-Yun; Yao, Cheng; Huang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m79 - m79
• a: 18.049 ± 0.002 Å
• b: 18.255 ± 0.003 Å
• c: 10.0741 ± 0.0014 Å
• α: 90°
• β: 102.668 ± 0.002°
• γ: 90°
• Cell volume: 3238.5 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes