Information card for entry 4309238

Structure parameters

• Formula: C26 H24 B Cr2 F4 N9 O S2
• Calculated formula: C26 H24 B Cr2 F4 N9 O S2
• SMILES: [Cr]123456(Sc7[n]([Cr]89%10%11(Sc%12[n]2nnn%12c2ccccc2)([OH]1)[cH]1[cH]8[cH]9[cH]%10[cH]%111)nnn7c1ccccc1)[cH]1[cH]6[cH]5[cH]4[cH]31.[B](F)(F)(F)[F-].N#CC
• 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: 9.4536 ± 0.0014 Å
• b: 10.9489 ± 0.0017 Å
• c: 16.161 ± 0.003 Å
• α: 82.378 ± 0.003°
• β: 84.912 ± 0.003°
• γ: 77.518 ± 0.003°
• Cell volume: 1615.7 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No