Information card for entry 7007465

Structure parameters

• Formula: C45 H72 Cl N8 Na O8
• Calculated formula: C45 H68 Cl N8 Na O8
• SMILES: [O]1=C(OC(C)(C)C)C[N]23CC[N]45CC[N]67CC[N]8(CC3)CC(=[O][Na]12468([O]=C(OC(C)(C)C)C7)[n]1c(C5)cccc1CN(Cc1ncccc1)Cc1ncccc1)OC(C)(C)C.O.O.[Cl-]
• Title of publication: Design, synthesis and photophysical studies of an emissive, europium based, sensor for zinc.
• Authors of publication: Pope, Simon J. A.; Laye, Rebecca H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 25
• Pages of publication: 3108 - 3113
• a: 12.3447 ± 0.0009 Å
• b: 13.9613 ± 0.0011 Å
• c: 16.0694 ± 0.0012 Å
• α: 82.218 ± 0.006°
• β: 85.885 ± 0.006°
• γ: 64.76 ± 0.008°
• Cell volume: 2481.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.124
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2697
• Weighted residual factors for all reflections included in the refinement: 0.2936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No