Information card for entry 4500974

Structure parameters

• Formula: C6 H14 Ag2 N3 O6 P S
• Calculated formula: C6 H14 Ag2 N3 O6 P S
• Title of publication: 1,3,5-Triaza-7-phosphaadamantane-7-oxide (PTA═O): New Diamondoid Building Block for Design of Three-Dimensional Metal‒Organic Frameworks
• Authors of publication: Kirillov, Alexander M.; Wieczorek, Sabina W.; Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Smoleński, Piotr; Pombeiro, Armando J. L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2711
• a: 16.6597 ± 0.0007 Å
• b: 10.3551 ± 0.0004 Å
• c: 6.9008 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1190.48 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No