Information card for entry 7011291

Structure parameters

• Formula: C19 H32 Ag F2 N6 O4 P
• Calculated formula: C19 H32 Ag F2 N6 O4 P
• SMILES: [Ag]12([N]3(CC[N]1(CC[N]2(CCOCCOCC3)CCC#N)CCC#N)CCC#N)OP(=O)(F)F
• Title of publication: Nitrile functionalised pendant-arm derivatives of aza- and mixed donor macrocyclic ligands as new building blocks for inorganic crystal engineering
• Authors of publication: Lorenzo Tei; Alexander J. Blake; Paul A. Cooke; Claudia Caltagirone; Francesco Demartin; Vito Lippolis; Francesca Morale; Claire Wilson; Martin Schröder
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1662 - 1670
• a: 9.8248 ± 0.0004 Å
• b: 14.6417 ± 0.0007 Å
• c: 17.543 ± 0.0008 Å
• α: 90°
• β: 105.747 ± 0.001°
• γ: 90°
• Cell volume: 2428.88 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0414
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No