Information card for entry 2220200

Structure parameters

• Chemical name: Bis(4-ferrocenylbenzoato-κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)cadmium(II)
• Formula: C38 H42 Cd Fe2 O8
• Calculated formula: C38 H42 Cd Fe2 O8
• SMILES: C(=O)(c1ccc(cc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)O[Cd]([OH]C)([OH]C)(OC(=O)c1ccc(cc1)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)([OH]C)[OH]C
• Title of publication: Bis(4-ferrocenylbenzoato-κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)cadmium(II)
• Authors of publication: Zhao, Hong-Ying; Song, Lian-Qing; Wang, Jing-Wu; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1624
• a: 9.8989 ± 0.0004 Å
• b: 8.6785 ± 0.0004 Å
• c: 41.228 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3541.8 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes