Information card for entry 7014075

Structure parameters

• Formula: C128 H180 Cl6 N8 Ni2 O13 S8
• Calculated formula: C128 H180 Cl6 N8 Ni2 O13 S8
• Title of publication: Transition metal-directed self-assembly of calix[4]arene based dithiocarbamate ligands.
• Authors of publication: Webber, Philip R. A.; Drew, Michael G. B.; Hibbert, Richard; Beer, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1127 - 1135
• a: 12.365 ± 0.015 Å
• b: 15.106 ± 0.017 Å
• c: 22.6 ± 0.03 Å
• α: 78.907 ± 0.01°
• β: 75.256 ± 0.01°
• γ: 67.41 ± 0.01°
• Cell volume: 3748 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2708
• Residual factor for significantly intense reflections: 0.1267
• Weighted residual factors for significantly intense reflections: 0.3489
• Weighted residual factors for all reflections included in the refinement: 0.406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No