Information card for entry 7704060

Structure parameters

• Formula: C50 H79 B F4 N8 O17.5 P2 Zn2
• Calculated formula: C48.5 H53 B F4 N8 O16 P2 Zn2
• Title of publication: Molecular recognition of bisphosphonate-based drugs by di-zinc receptors in aqueous solution and on gold nanoparticles.
• Authors of publication: Torres-Huerta, Aaron; Chan, Tiffany G.; White, Andrew J. P.; Vilar, Ramon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 5939 - 5948
• a: 12.3489 ± 0.0003 Å
• b: 13.7028 ± 0.0005 Å
• c: 18.1556 ± 0.0008 Å
• α: 90.414 ± 0.003°
• β: 93.3 ± 0.003°
• γ: 100.305 ± 0.003°
• Cell volume: 3017.14 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No