Information card for entry 2209734

Structure parameters

• Chemical name: Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N)dinitratoiron(II)
• Formula: C14 H14 Fe N4 O7
• Calculated formula: C14 H14 Fe N4 O7
• SMILES: [Fe]12([OH2])(ON(=O)=O)(ON(=[O]1)=O)[n]1c(C)ccc3ccc4ccc([n]2c4c13)C
• Title of publication: Aqua(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')dinitratoiron(II)
• Authors of publication: Cai-Feng Ding; Yue-Qin Yu; Mei-Ling Zhang; Xue-Mei Li; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1871 - m1872
• a: 11.1447 ± 0.0013 Å
• b: 10.8137 ± 0.0013 Å
• c: 15.0625 ± 0.0014 Å
• α: 90°
• β: 113.306 ± 0.007°
• γ: 90°
• Cell volume: 1667.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes