Information card for entry 2014770

Structure parameters

• Chemical name: Bis(thiocarbohydrazide)thiocyanatoiron(II)
• Formula: C4 H12 Fe N10 S4
• Calculated formula: C4 H12 Fe N10 S4
• SMILES: C(=N[Fe]12([NH2]NC(=[S]1)NN)([NH2]NC(=[S]2)NN)N=C=S)=S
• Title of publication: Bis(thiocarbohydrazide)dithiocyanatoiron(II)
• Authors of publication: Guang-Qi Xiang; Wei-Dong Wang; Mao-Lin Hu; Zhi-Min Jin; Ya-Ping Lü
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m311 - m312
• a: 5.2176 ± 0.0006 Å
• b: 8.0061 ± 0.0009 Å
• c: 8.7683 ± 0.001 Å
• α: 78.662 ± 0.002°
• β: 84.15 ± 0.002°
• γ: 88.891 ± 0.002°
• Cell volume: 357.26 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes