Information card for entry 7210714

Structure parameters

• Formula: C41 H53 Ag3 Cl3 N3 O13 S8
• Calculated formula: C41 H53 Ag3 Cl3 N3 O13 S8
• Title of publication: Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation
• Authors of publication: Lee, Eunji; Lee, Shim Sung
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 1814
• a: 8.8495 ± 0.0014 Å
• b: 12.1336 ± 0.0019 Å
• c: 12.559 ± 0.002 Å
• α: 80.603 ± 0.007°
• β: 89.677 ± 0.007°
• γ: 81.09 ± 0.007°
• Cell volume: 1314.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No