Information card for entry 4329154

Structure parameters

• Formula: C98 H78 Ag4 B6 F24 Fe2 N30 O12
• Calculated formula: C98 H78 Ag4 B6 F24 Fe2 N30 O12
• SMILES: [Fe]12345n6[n]7[Ag]89[Ag]%10([n]%11c(c7cc6c6[n]1c(ccc6)c1[n]2cccc1)cccc%11c1[n]%10cccc1)[n]1n2[Fe]67%10([n]%11c(c2cc1c1[n]8c(ccc1)c1[n]9cccc1)cccc%11c1[n]6cccc1)n1[n]2[Ag]68[Ag]9([n]%11c(c2cc1c1[n]7c(ccc1)c1[n]%10cccc1)cccc%11c1[n]9cccc1)[n]1n3c(cc1c1[n]6c(ccc1)c1[n]8cccc1)c1[n]4c(ccc1)c1[n]5cccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N(=O)(=O)C.N(=O)(=O)C.N(=O)(=O)C.N(=O)(=O)C.N(=O)(=O)C.N(=O)(=O)C
• Title of publication: Grid Expansion: a Rhombiclike [L4Fe2(Ag2)2] Complex Containing Ag2 Dumbbells at Two Vertices
• Authors of publication: Benjamin Schneider; Serhiy Demeshko; Sebastian Dechert; Franc Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4912 - 4914
• a: 15.7063 ± 0.0008 Å
• b: 19.1343 ± 0.0008 Å
• c: 20.4113 ± 0.0008 Å
• α: 66.06 ± 0.003°
• β: 79.413 ± 0.004°
• γ: 87.507 ± 0.004°
• Cell volume: 5507.7 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1941
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No