Information card for entry 7718965

Structure parameters

• Chemical name: HP_dimer
• Formula: C36 H32 Fe2 N16
• Calculated formula: C36 H32 Fe2 N16
• Title of publication: A strongly hydrogen-bonded one-dimensional high-spin dinuclear Fe(II) complex.
• Authors of publication: Phan, Hoa; Thai, Kieu Thuy Thi; Funakoshi, Nobuto; Tran, Huyen Thu Thi; Yamashita, Masahiro; Shatruk, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 34
• Pages of publication: 12749 - 12753
• a: 9.6149 ± 0.0005 Å
• b: 13.1277 ± 0.0007 Å
• c: 15.2214 ± 0.0009 Å
• α: 95.01 ± 0.001°
• β: 94.046 ± 0.001°
• γ: 110.962 ± 0.001°
• Cell volume: 1776.53 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0364
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No