Information card for entry 1516957

Structure parameters

• Formula: C41 H51 B Fe N10
• Calculated formula: C41 H47 B Fe N10
• SMILES: [Fe]1234([n]5c([nH]cc5C=[N]1CCC[N]2(C)CCC[N]3=Cc1[n]4c([nH]c1)C)C)N=N#N.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Iron(II) complexes with a linear pentadentate ligand H2L1 = bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine and a monodentate ligand X (X = N3-, NCS-, NCSe-)
• Authors of publication: Keishiro Murakami; Aki Kitabayashi; Suguru Yamauchi; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 400
• Pages of publication: 244 - 249
• a: 12.5378 ± 0.0005 Å
• b: 11.7168 ± 0.0005 Å
• c: 25.9454 ± 0.0009 Å
• α: 90°
• β: 95.1122 ± 0.0012°
• γ: 90°
• Cell volume: 3796.3 ± 0.3 ų
• Cell temperature: 146 K
• Ambient diffraction temperature: 146 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 significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.2624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No