Information card for entry 7204625

Structure parameters

• Formula: C27 H17 Cl3 Fe N8 Ni O4 S2
• Calculated formula: C27 H16 Cl3 Fe N8 Ni O4 S2
• 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: 9.7081 ± 0.0013 Å
• b: 19.095 ± 0.003 Å
• c: 18.094 ± 0.002 Å
• α: 90°
• β: 98.035 ± 0.003°
• γ: 90°
• Cell volume: 3321.3 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.1197
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No