Information card for entry 7005587

Structure parameters

• Formula: C22 H20 Fe N4 O3
• Calculated formula: C22 H20 Fe N4 O3
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)Nc1cnccc1)[c]1([cH]8[cH]7[cH]6[cH]51)C(=O)Nc1cccnc1.O
• Title of publication: Self-assembled hetero-bimetallic coordination cage and cation-clusters with micro(2)-Cl bridging using a flexible two-arm ferrocene amide linker.
• Authors of publication: Wei, Kai-Ju; Ni, Jia; Xie, Yong-Shu; Liu, Yangzhong; Liu, Qing-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3390 - 3397
• a: 10.7467 ± 0.0015 Å
• b: 8.6769 ± 0.0012 Å
• c: 11.5977 ± 0.0016 Å
• α: 90°
• β: 115.636 ± 0.002°
• γ: 90°
• Cell volume: 975 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No