Information card for entry 2012962

Structure parameters

• Chemical name: Tetraaqua-1κ^4^O-bis(ε-caprolactam-1κO)-μ-cyano-1:2κ^2^N:C-pentacyano- 2κ^5^C-iron(III)yttrium(III)
• Formula: C18 H30 Fe N8 O6 Y
• Calculated formula: C18 H30 Fe N8 O6 Y
• Title of publication: Tetraaqua-1κ^4^<i>O</i>-bis(ε-caprolactam-1κ<i>O</i>)-μ-cyano-1:2κ^2^<i>N</i>:<i>C</i>-pentacyano-2κ^5^<i>C</i>-iron(III)yttrium(III), a novel cyano-bridged dinuclear complex
• Authors of publication: Zhou, Bei Chuan; Kou, Hui-Zhong; He, Yi; Xiong, Ming; Wang, Ru-Ji; Li, Yadong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: m478 - m480
• a: 14.006 ± 0.003 Å
• b: 12.951 ± 0.003 Å
• c: 15.011 ± 0.003 Å
• α: 90°
• β: 104.15 ± 0.03°
• γ: 90°
• Cell volume: 2640.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes