Information card for entry 4311523

Structure parameters

• Common name: 9.C6H6.CH3CN
• Formula: C54 H45 F12 Hg N9 P2
• Calculated formula: C54 H45 F12 Hg N9 P2
• SMILES: [Hg](=C1N(C=CN1Cc1nc2c(cc1)cccc2)Cc1nc2c(cc1)cccc2)=C1N(C=CN1Cc1nc2c(cc1)cccc2)Cc1nc2c(cc1)cccc2.c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Pyridine Substituted N-Heterocyclic Carbene Ligands as Supports for Au(I)-Ag(I) Interactions: Formation of a Chiral Coordination Polymer
• Authors of publication: Vincent J. Catalano; Mark A. Malwitz; Anthony O. Etogo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5714 - 5724
• a: 13.489 ± 0.003 Å
• b: 28.657 ± 0.006 Å
• c: 15.063 ± 0.002 Å
• α: 90°
• β: 116.552 ± 0.008°
• γ: 90°
• Cell volume: 5208.5 ± 1.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0593
• 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