Information card for entry 7020274

Structure parameters

• Formula: C88 H82 Bi2 Fe8 O20
• Calculated formula: C88 H82 Bi2 Fe8 O20
• SMILES: C(=O)(O[Bi](OC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)OC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]8[cH]6[cH]72)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.OC(=O)[c]12[cH]3[cH]4[Fe]5678913([cH]1[cH]5[cH]6[cH]7[cH]81)[cH]4[cH]29.O.O
• Title of publication: Bismuth-ferrocene carboxylates: synthesis and structure.
• Authors of publication: Chandrasekhar, Vadapalli; Metre, Ramesh K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11684 - 11691
• a: 9.651 ± 0.005 Å
• b: 14.309 ± 0.005 Å
• c: 28.339 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.384 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3910 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0405
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No