Information card for entry 7206672

Structure parameters

• Common name: catena-((mu2-biphenyl-4,4'-dicarboxylate)-(bis(mu3-1,3,5- triaza-7-phosphaadamantane)) -disilver(i)-dihydrate)
• Chemical name: catena-((μ2-biphenyl-4,4'-dicarboxylate)- (bis(μ3-1,3,5-triaza-7-phosphaadamantane)) -disilver(I)-dihydrate)
• Formula: C13 H20 Ag N3 O4 P
• Calculated formula: C13 H20 Ag N3 O4 P
• Title of publication: Crystal engineering with 1,3,5-triaza-7-phosphaadamantane (PTA): first PTA-driven 3D metal‒organic frameworks
• Authors of publication: Kirillov, Alexander M.; Wieczorek, Sabina W.; Guedes da Silva, M. Fátima C.; Sokolnicki, Jerzy; Smoleński, Piotr; Pombeiro, Armando J. L.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 6329
• a: 6.4294 ± 0.0008 Å
• b: 20.626 ± 0.003 Å
• c: 11.6196 ± 0.0011 Å
• α: 90°
• β: 90.708 ± 0.004°
• γ: 90°
• Cell volume: 1540.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0891
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No