Information card for entry 7019007

Structure parameters

• Formula: C64 H45 Ag N5 P3
• Calculated formula: C64 H45 Ag N5 P3
• SMILES: [Ag](N=C=C1C(=C(C#N)C(=C1C#N)C#N)C#N)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Group 11 complexes containing the [C5(CN)5]− ligand; ‘coordination-analogues’ of molecular organometallic systems
• Authors of publication: Less, Robert J.; Guan, Bihan; Muresan, Nicoleta M.; McPartlin, Mary; Reisner, Erwin; Wilson, Thomas C.; Wright, Dominic S.
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5919
• a: 12.687 ± 0.0001 Å
• b: 25.7466 ± 0.0002 Å
• c: 16.6696 ± 0.0002 Å
• α: 90°
• β: 93.446 ± 0.001°
• γ: 90°
• Cell volume: 5435.23 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No