Information card for entry 7716655

Structure parameters

• Formula: C22 H45 Co N4 O19.75 P
• Calculated formula: C22 H45 Co N4 O19.75 P
• Title of publication: Exploring enantioselective recognition of dTMP-Co-bpe coordination polymer for natural amino acids using molecular simulations and circular dichroism.
• Authors of publication: Zohaib, Hafiz Muhammad; Saqlain, Madiha; Khan, Maroof Ahmad; Masood, Sara; Gul, Ijaz; Irfan, Muhammad; Li, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 31
• Pages of publication: 13076 - 13086
• a: 13.6235 ± 0.0016 Å
• b: 14.122 ± 0.002 Å
• c: 17.971 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3457.5 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No