Information card for entry 7105968

Structure parameters

• Formula: C12 H18 Cu N4 O5 S
• Calculated formula: C12 H16 Cu N4 O5.37 S
• Title of publication: Solid-to-solid formation at the solid–liquid interface leading to a chiral coordination polymer from an achiral monomer
• Authors of publication: Sabbani Supriya; Samar K. Das
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 2062
• a: 18.6001 ± 0.0012 Å
• b: 7.5076 ± 0.0005 Å
• c: 21.9761 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3068.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No