Information card for entry 7039446

Structure parameters

• Formula: C35 H48 Cu4 I4 N S3
• Calculated formula: C35 H48 Cu4 I4 N S3
• Title of publication: Can a highly flexible copper(i) cluster-containing 1D and 2D coordination polymers exhibit MOF-like properties?
• Authors of publication: Bonnot, Antoine; Juvenal, Frank; Lapprand, Anthony; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 28
• Pages of publication: 11413 - 11421
• a: 12.8071 ± 0.0012 Å
• b: 12.9113 ± 0.0012 Å
• c: 13.6042 ± 0.0013 Å
• α: 77.174 ± 0.002°
• β: 80.568 ± 0.002°
• γ: 83.53 ± 0.002°
• Cell volume: 2156.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No