Information card for entry 7210713

Structure parameters

• Formula: C41 H54 Ag3 Cl7 N2 O13 S8
• Calculated formula: C41 H54 Ag3 Cl7 N2 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: 10.6675 ± 0.0005 Å
• b: 21.4119 ± 0.0009 Å
• c: 24.6267 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5625 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No