Information card for entry 7102611

Structure parameters

• Common name: Cs1.6K2.4(Nb6F6I6(NCS)6)
• Formula: C6 Cs1.6 F6 I6 K2.4 N6 Nb6 S6
• Calculated formula: C6 Cs1.607 F6 I6 K2.451 N6 Nb6 S5.99
• 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: 17.406 ± 0.005 Å
• b: 12.237 ± 0.005 Å
• c: 23.155 ± 0.005 Å
• α: 90°
• β: 103.307 ± 0.005°
• γ: 90°
• Cell volume: 4800 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No