Information card for entry 7204629

Structure parameters

• Formula: C78.5 H80.5 Cl17.5 Fe2 N18 Ni3 O39
• Calculated formula: C78.5 H48 Cl17.5 Fe2 N18 Ni3 O39
• Title of publication: Controlling the construction of trinuclear, 1-D, and 2-D Ni(ii)Fe(ii)/Fe(ii)Fe(ii) complexes: selective syntheses, structures, and magnetic properties
• Authors of publication: Kamiyama, Asako; Noguchi, Tomoko; Kajiwara, Takashi; Ito, Tasuku
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 40
• Pages of publication: 231
• a: 32.999 ± 0.002 Å
• b: 17.1473 ± 0.0011 Å
• c: 20.9802 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11871.5 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.1578
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2488
• Weighted residual factors for all reflections included in the refinement: 0.2994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No