Information card for entry 7001952

Structure parameters

• Formula: C42 H66 Ag4 I4 N4 O2 P2
• Calculated formula: C42 H66 Ag4 I4 N4 O2 P2
• Title of publication: Unprecedented cubane-type silver cluster with a novel phosphinite functionalized N-heterocyclic carbene ligand
• Authors of publication: Raynal, Matthieu; Liu, Xianghao; Pattacini, Roberto; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7288
• a: 17.0929 ± 0.0008 Å
• b: 17.4818 ± 0.0008 Å
• c: 35.3573 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10565.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No