Information card for entry 4309237

Structure parameters

• Formula: C35 H36 B Cr3 F4 N2 O3.5 S4
• Calculated formula: C35 H36 B Cr3 F4 N2 O3.5 S4
• Title of publication: Heterocyclic Thionates as a New Class of Bridging Ligands in Oxo-Centered Triangular Cyclopentadienylchromium(III) Complexes
• Authors of publication: Victor Wee Lin Ng; Seah Ling Kuan; Weng Kee Leong; Lip Lin Koh; Geok Kheng Tan; Lai Yoong Goh; Richard D. Webster
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5229 - 5240
• a: 18.3429 ± 0.0009 Å
• b: 11.3164 ± 0.0006 Å
• c: 18.6615 ± 0.0009 Å
• α: 90°
• β: 102.851 ± 0.002°
• γ: 90°
• Cell volume: 3776.6 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No