Information card for entry 4312337

Structure parameters

• Formula: C114 H147 N48 Nb3 Ni6 O10
• Calculated formula: C114 H147 N48 Nb3 Ni6 O9.99
• Title of publication: Octadecanuclear Cluster or 1D Polymer with [{ML}2Nb(CN)8]n Motifs as a Function of {ML} (M = Ni(II), n= 6; M = Mn(II), n= \ιnfty; L = Macrocycle)
• Authors of publication: Rabindranath Pradhan; Cédric Desplanches; Philippe Guionneau; Jean-Pascal Sutter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6607 - 6609
• a: 33.233 ± 0.01 Å
• b: 33.231 ± 0.01 Å
• c: 25.275 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 24173 ± 11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2026
• Residual factor for significantly intense reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.2649
• Weighted residual factors for all reflections included in the refinement: 0.3323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No