Information card for entry 4324954

Structure parameters

• Formula: C36 H74 Ag2 K2 N4 O12 P14
• Calculated formula: C36 H74 Ag2 K2 N4 O12 P14
• SMILES: P12P3P4P3PP2P4[Ag]2[Ag]1P1P3P2P2P1P2P3.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9
• Title of publication: Heteroatomic Molecular Clusters Derived from Group 15 Zintl Ion Cages: Synthesis and Isolation of [M2(HP7)2]2- (M = Ag, Au), Two Novel Cluster Anions Exhibiting Metallophilic Interactions
• Authors of publication: Caroline M. Knapp; Charlotte S. Jackson; Joseph S. Large; Amber L. Thompson; Jose M. Goicoechea
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4021 - 4028
• a: 10.7536 ± 0.0001 Å
• b: 27.0054 ± 0.0002 Å
• c: 10.6651 ± 0.0001 Å
• α: 90°
• β: 92.3363 ± 0.0005°
• γ: 90°
• Cell volume: 3094.63 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9505
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No