Information card for entry 7035383

Structure parameters

• Formula: C120.5 H144 Cl9 In6 N18 O55
• Calculated formula: C120.5 H139 Cl9 In6 N18 O55
• Title of publication: The selectivity of water-based pyrophosphate recognition is tuned by metal substitution in dimetallic receptors.
• Authors of publication: Svane, Simon; Kjeldsen, Frank; McKee, Vickie; McKenzie, Christine J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11877 - 11886
• a: 10.9425 ± 0.0007 Å
• b: 24.8248 ± 0.0014 Å
• c: 31.3943 ± 0.0019 Å
• α: 109.057 ± 0.003°
• β: 98.716 ± 0.004°
• γ: 91.073 ± 0.003°
• Cell volume: 7946.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1038
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No