Information card for entry 7059235

Structure parameters

• Formula: C84 H96 Bi2 Fe6 N6 O6 S12
• Calculated formula: C84 H96 Bi2 Fe6 N6 O6 S12
• Title of publication: New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one
• Authors of publication: Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3268 - 3277
• a: 7.4655 ± 0.0002 Å
• b: 17.0134 ± 0.0007 Å
• c: 19.1135 ± 0.0006 Å
• α: 104.531 ± 0.003°
• β: 98.067 ± 0.002°
• γ: 101.727 ± 0.003°
• Cell volume: 2253.6 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No