Information card for entry 7102610

Structure parameters

• Common name: (Et4N)6(Nb6F6Br6(NCS)6).2Br
• Formula: C54 H120 Br8 F6 N12 Nb6 S6
• Calculated formula: C54 H120 Br7.98 F6 N12 Nb6 S6
• Title of publication: Soluble mu-Fi bridged niobium clusters: synthesis and crystal structures of (Et4N)6[Nb6Fi6Bri6(NCS)a6]Br2 and Cs1.6K2.4[Nb6Fi6Ii6(NCS)a6].
• Authors of publication: Naumov, Nikolai G; Cordier, Stephane; Perrin, Christiane
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1126 - 1127
• a: 18.149 ± 0.005 Å
• b: 18.149 ± 0.005 Å
• c: 25.435 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7256 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No