Information card for entry 7049163

Structure parameters

• Formula: C30.5 H46 B Cl Nb3 S7
• Calculated formula: C30.5 H45 B Cl Nb3 S7
• Title of publication: Chalcogen stabilized trimetallic clusters: synthesis, structures, and bonding of [(Cp*M)₃(E)_6+m(BH)_n] (M = Nb or Ta; E = S or Se; m = 0 or 1 or 2; n = 0 or 1).
• Authors of publication: Kar, Sourav; Bairagi, Subhash; Saha, Koushik; Raghavendra, Beesam; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 13
• Pages of publication: 4203 - 4210
• a: 15.7274 ± 0.0005 Å
• b: 16.7472 ± 0.0005 Å
• c: 15.8653 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4178.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No